ethyl 2-[[(E)-2-cyano-3-[3-methoxy-4-(3-methylphenyl)carbonyloxy-phenyl]prop-2-enoyl]amino]-5-propan-2-yl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[(E)-2-cyano-3-[3-methoxy-4-(3-methylphenyl)carbonyloxy-phenyl]prop-2-enoyl]amino]-5-propan-2-yl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[(E)-2-cyano-3-[3-methoxy-4-(3-methylbenzoyl)oxy-phenyl]prop-2-enoyl]amino]-5-isopropyl-thiophene-3-carboxylate CAS Name: 2-[[(E)-2-cyano-3-[3-methoxy-4-[(3-methylphenyl)-oxomethoxy]phenyl]-1-oxoprop-2-enyl]amino]-5-propan-2-yl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(E)-2-cyano-3-[3-methoxy-4-(3-methylbenzoyl)oxyphenyl]prop-2-enoyl]amino]-5-propan-2-ylthiophene-3-carboxylate Traditional Name: 2-[[(E)-2-cyano-3-(3-methoxy-4-m-toluoyloxy-phenyl)acryloyl]amino]-5-isopropyl-thiophene-3-carboxylic acid ethyl ester Formula: C29H28N2O6S MolecularWeight: 532.60742

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C(C)C)NC(=O)C(=CC2=CC(=C(C=C2)OC(=O)C3=CC(=CC=C3)C)OC)C#N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C(C)C)NC(=O)/C(=C/C2=CC(=C(C=C2)OC(=O)C3=CC(=CC=C3)C)OC)/C#N

InChI

InChI=1S/C29H28N2O6S/c1-6-36-29(34)22-15-25(17(2)3)38-27(22)31-26(32)21(16-30)13-19-10-11-23(24(14-19)35-5)37-28(33)20-9-7-8-18(4)12-20/h7-15,17H,6H2,1-5H3,(H,31,32)/b21-13+