methyl 2-[[(E)-2-cyano-3-(3-nitrophenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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methyl 2-[[(E)-2-cyano-3-(3-nitrophenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
structure -
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CAS No:
868154-63-6
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Formula:
C20H17N3O5S
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Chemical Name:
methyl 2-[[(E)-2-cyano-3-(3-nitrophenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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Synonyms:
868154-63-6;(E)-methyl 2-(2-cyano-3-(3-nitrophenyl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate;methyl 2-[(2E)-2-cyano-3-(3-nitrophenyl)prop-2-enamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;ZINC2708520;AKOS002846158;methyl 2-[[(E)-2-cyano-3-(3-nitrophenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;SR-01000014741;SR-01000014741-1;F1736-1959
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CAS No:
methyl 2-[[(E)-2-cyano-3-(3-nitrophenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Basic Attributes
411.4 g/mol
411.08889182 g/mol
Computed Properties
Molecular Weight:411.4
XLogP3:4.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:5
Exact Mass:411.08889182
Monoisotopic Mass:411.08889182
Topological Polar Surface Area:153
Heavy Atom Count:29
Complexity:740
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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