[2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
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![[2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/f3194727746c408dae3eafb5d18bfc0e.png "[2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate")
[2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
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CAS No:
571930-57-9
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Formula:
C20H21N3O4S
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Chemical Name:
[2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
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Synonyms:
MLS000334437;SMR000249195;CHEMBL1340055;BDBM89287;cid_2487493;HMS2606N17;ZINC3369661;AKOS002442235;MCULE-2231989256;[2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate;Z15516798;[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]methyl 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate;[2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 4-ethanoyl-3,5-dimethyl-1H-pyrrole-2-carboxylate;4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid [2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] ester;4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid [2-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-keto-ethyl] ester;571930-57-9
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CAS No:
[2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate Basic Attributes
399.5 g/mol
399.12527733 g/mol
Computed Properties
Molecular Weight:399.5
XLogP3:3.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:399.12527733
Monoisotopic Mass:399.12527733
Topological Polar Surface Area:140
Heavy Atom Count:28
Complexity:690
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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