methyl 2-[[(E)-2-cyano-3-[4-(3-methylphenyl)carbonyloxyphenyl]prop-2-enoyl]amino]-5-propan-2-yl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[[(E)-2-cyano-3-[4-(3-methylphenyl)carbonyloxyphenyl]prop-2-enoyl]amino]-5-propan-2-yl-thiophene-3-carboxylate Openeye Name: methyl 2-[[(E)-2-cyano-3-[4-(3-methylbenzoyl)oxyphenyl]prop-2-enoyl]amino]-5-isopropyl-thiophene-3-carboxylate CAS Name: 2-[[(E)-2-cyano-3-[4-[(3-methylphenyl)-oxomethoxy]phenyl]-1-oxoprop-2-enyl]amino]-5-propan-2-yl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(E)-2-cyano-3-[4-(3-methylbenzoyl)oxyphenyl]prop-2-enoyl]amino]-5-propan-2-ylthiophene-3-carboxylate Traditional Name: 2-[[(E)-2-cyano-3-(4-m-toluoyloxyphenyl)acryloyl]amino]-5-isopropyl-thiophene-3-carboxylic acid methyl ester Formula: C27H24N2O5S MolecularWeight: 488.55486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)OC2=CC=C(C=C2)C=C(C#N)C(=O)NC3=C(C=C(S3)C(C)C)C(=O)OC

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)OC2=CC=C(C=C2)/C=C(\C#N)/C(=O)NC3=C(C=C(S3)C(C)C)C(=O)OC

InChI

InChI=1S/C27H24N2O5S/c1-16(2)23-14-22(27(32)33-4)25(35-23)29-24(30)20(15-28)13-18-8-10-21(11-9-18)34-26(31)19-7-5-6-17(3)12-19/h5-14,16H,1-4H3,(H,29,30)/b20-13+