methyl 4-(4-bromophenyl)-2-[[(Z)-2-cyano-3-(4-methoxy-3-oxidanyl-phenyl)prop-2-enoyl]amino]thiophene-3-carboxylate

Systemtic Name: methyl 4-(4-bromophenyl)-2-[[(Z)-2-cyano-3-(4-methoxy-3-oxidanyl-phenyl)prop-2-enoyl]amino]thiophene-3-carboxylate Openeye Name: methyl 4-(4-bromophenyl)-2-[[(Z)-2-cyano-3-(3-hydroxy-4-methoxy-phenyl)prop-2-enoyl]amino]thiophene-3-carboxylate CAS Name: 4-(4-bromophenyl)-2-[[(Z)-2-cyano-3-(3-hydroxy-4-methoxyphenyl)-1-oxoprop-2-enyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-bromophenyl)-2-[[(Z)-2-cyano-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoyl]amino]thiophene-3-carboxylate Traditional Name: 4-(4-bromophenyl)-2-[[(Z)-2-cyano-3-(3-hydroxy-4-methoxy-phenyl)acryloyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C23H17BrN2O5S MolecularWeight: 513.36048

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=C(C#N)C(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)Br)C(=O)OC)O

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C(/C#N)\C(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)Br)C(=O)OC)O

InChI

InChI=1S/C23H17BrN2O5S/c1-30-19-8-3-13(10-18(19)27)9-15(11-25)21(28)26-22-20(23(29)31-2)17(12-32-22)14-4-6-16(24)7-5-14/h3-10,12,27H,1-2H3,(H,26,28)/b15-9-