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

Systemtic Name: methyl 2-[[3-(4-chlorophenyl)-2-cyano-prop-2-enoyl]amino]-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[3-(4-chlorophenyl)-2-cyano-prop-2-enoyl]amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[3-(4-chlorophenyl)-2-cyano-1-oxoprop-2-enyl]amino]-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[3-(4-chlorophenyl)-2-cyanoprop-2-enoyl]amino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[3-(4-chlorophenyl)-2-cyano-acryloyl]amino]-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C22H15ClN2O3S MolecularWeight: 422.8841

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C(=CC3=CC=C(C=C3)Cl)C#N

Isomeric SMILES

COC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C(=CC3=CC=C(C=C3)Cl)C#N

InChI

InChI=1S/C22H15ClN2O3S/c1-28-22(27)19-18(15-5-3-2-4-6-15)13-29-21(19)25-20(26)16(12-24)11-14-7-9-17(23)10-8-14/h2-11,13H,1H3,(H,25,26)