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

Systemtic Name: methyl 2-[[(E)-2-cyano-3-(3-methylphenyl)prop-2-enoyl]amino]-5-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[(E)-2-cyano-3-(m-tolyl)prop-2-enoyl]amino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(E)-2-cyano-3-(3-methylphenyl)-1-oxoprop-2-enyl]amino]-5-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(E)-2-cyano-3-(3-methylphenyl)prop-2-enoyl]amino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[[(E)-2-cyano-3-(m-tolyl)acryloyl]amino]-5-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C23H18N2O3S MolecularWeight: 402.46562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C=C(C#N)C(=O)NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC1=CC=CC(=C1)/C=C(\C#N)/C(=O)NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C23H18N2O3S/c1-15-7-6-8-16(11-15)12-18(14-24)21(26)25-22-19(23(27)28-2)13-20(29-22)17-9-4-3-5-10-17/h3-13H,1-2H3,(H,25,26)/b18-12+