methyl 2-[[(E)-2-cyano-3-[3-methoxy-4-(phenylcarbonyloxy)phenyl]prop-2-enoyl]amino]-5-phenyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[[(E)-2-cyano-3-[3-methoxy-4-(phenylcarbonyloxy)phenyl]prop-2-enoyl]amino]-5-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[(E)-3-(4-benzoyloxy-3-methoxy-phenyl)-2-cyano-prop-2-enoyl]amino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(E)-3-(4-benzoyloxy-3-methoxyphenyl)-2-cyano-1-oxoprop-2-enyl]amino]-5-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(E)-3-(4-benzoyloxy-3-methoxyphenyl)-2-cyanoprop-2-enoyl]amino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[[(E)-3-(4-benzoyloxy-3-methoxy-phenyl)-2-cyano-acryloyl]amino]-5-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C30H22N2O6S MolecularWeight: 538.57048

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)OC)OC(=O)C4=CC=CC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)OC)OC(=O)C4=CC=CC=C4

InChI

InChI=1S/C30H22N2O6S/c1-36-25-16-19(13-14-24(25)38-29(34)21-11-7-4-8-12-21)15-22(18-31)27(33)32-28-23(30(35)37-2)17-26(39-28)20-9-5-3-6-10-20/h3-17H,1-2H3,(H,32,33)/b22-15+