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

Systemtic Name: propan-2-yl 2-[[(E)-2-cyano-3-[3-methoxy-4-(3-methylphenyl)carbonyloxy-phenyl]prop-2-enoyl]amino]thiophene-3-carboxylate Openeye Name: isopropyl 2-[[(E)-2-cyano-3-[3-methoxy-4-(3-methylbenzoyl)oxy-phenyl]prop-2-enoyl]amino]thiophene-3-carboxylate CAS Name: 2-[[(E)-2-cyano-3-[3-methoxy-4-[(3-methylphenyl)-oxomethoxy]phenyl]-1-oxoprop-2-enyl]amino]-3-thiophenecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[[(E)-2-cyano-3-[3-methoxy-4-(3-methylbenzoyl)oxyphenyl]prop-2-enoyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[(E)-2-cyano-3-(3-methoxy-4-m-toluoyloxy-phenyl)acryloyl]amino]thiophene-3-carboxylic acid isopropyl ester Formula: C27H24N2O6S MolecularWeight: 504.55426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)OC2=C(C=C(C=C2)C=C(C#N)C(=O)NC3=C(C=CS3)C(=O)OC(C)C)OC

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)OC2=C(C=C(C=C2)/C=C(\C#N)/C(=O)NC3=C(C=CS3)C(=O)OC(C)C)OC

InChI

InChI=1S/C27H24N2O6S/c1-16(2)34-27(32)21-10-11-36-25(21)29-24(30)20(15-28)13-18-8-9-22(23(14-18)33-4)35-26(31)19-7-5-6-17(3)12-19/h5-14,16H,1-4H3,(H,29,30)/b20-13+