methyl 2-[[2-cyano-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[[2-cyano-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[2-cyano-3-(4-isopropylphenyl)prop-2-enoyl]amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-cyano-1-oxo-3-(4-propan-2-ylphenyl)prop-2-enyl]amino]-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-cyano-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[(2-cyano-3-p-cumenyl-acryloyl)amino]-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C25H22N2O3S MolecularWeight: 430.51878

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C=C(C#N)C(=O)NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C=C(C#N)C(=O)NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C25H22N2O3S/c1-16(2)18-11-9-17(10-12-18)13-20(14-26)23(28)27-24-22(25(29)30-3)21(15-31-24)19-7-5-4-6-8-19/h4-13,15-16H,1-3H3,(H,27,28)