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

Systemtic Name: methyl 2-[[(E)-2-cyano-3-[3-methoxy-4-(4-methylphenyl)carbonyloxy-phenyl]prop-2-enoyl]amino]-5-propyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[(E)-2-cyano-3-[3-methoxy-4-(4-methylbenzoyl)oxy-phenyl]prop-2-enoyl]amino]-5-propyl-thiophene-3-carboxylate CAS Name: 2-[[(E)-2-cyano-3-[3-methoxy-4-[(4-methylphenyl)-oxomethoxy]phenyl]-1-oxoprop-2-enyl]amino]-5-propyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(E)-2-cyano-3-[3-methoxy-4-(4-methylbenzoyl)oxyphenyl]prop-2-enoyl]amino]-5-propylthiophene-3-carboxylate Traditional Name: 2-[[(E)-2-cyano-3-(3-methoxy-4-p-toluoyloxy-phenyl)acryloyl]amino]-5-propyl-thiophene-3-carboxylic acid methyl ester Formula: C28H26N2O6S MolecularWeight: 518.58084

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C(S1)NC(=O)C(=CC2=CC(=C(C=C2)OC(=O)C3=CC=C(C=C3)C)OC)C#N)C(=O)OC

Isomeric SMILES

CCCC1=CC(=C(S1)NC(=O)/C(=C/C2=CC(=C(C=C2)OC(=O)C3=CC=C(C=C3)C)OC)/C#N)C(=O)OC

InChI

InChI=1S/C28H26N2O6S/c1-5-6-21-15-22(28(33)35-4)26(37-21)30-25(31)20(16-29)13-18-9-12-23(24(14-18)34-3)36-27(32)19-10-7-17(2)8-11-19/h7-15H,5-6H2,1-4H3,(H,30,31)/b20-13+