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

Systemtic Name: methyl 2-[[2-cyano-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[2-cyano-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-cyano-3-(2,4-dichlorophenyl)-1-oxoprop-2-enyl]amino]-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-cyano-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-cyano-3-(2,4-dichlorophenyl)acryloyl]amino]-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C22H14Cl2N2O3S MolecularWeight: 457.32916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H14Cl2N2O3S/c1-29-22(28)19-17(13-5-3-2-4-6-13)12-30-21(19)26-20(27)15(11-25)9-14-7-8-16(23)10-18(14)24/h2-10,12H,1H3,(H,26,27)