(Z)-4-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3-methyl-4-oxobut-2-enoic acid
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![(Z)-4-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3-methyl-4-oxobut-2-enoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/a7cd457075a649868d88685068a6fee7.png "(Z)-4-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3-methyl-4-oxobut-2-enoic acid")
(Z)-4-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3-methyl-4-oxobut-2-enoic acid
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CAS No:
865593-58-4
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Formula:
C14H14N2O3S
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Chemical Name:
(Z)-4-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3-methyl-4-oxobut-2-enoic acid
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Synonyms:
865593-58-4;HMS1428N02;ZINC2696556;AKOS024608677;IDI1_011323;SR-01000012768;SR-01000012768-1;F1450-0200;(Z)-4-((3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)amino)-3-methyl-4-oxobut-2-enoic acid
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CAS No:
(Z)-4-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3-methyl-4-oxobut-2-enoic acid Basic Attributes
290.34 g/mol
290.07251349 g/mol
Computed Properties
Molecular Weight:290.34
XLogP3:2.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:290.07251349
Monoisotopic Mass:290.07251349
Topological Polar Surface Area:118
Heavy Atom Count:20
Complexity:494
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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