propan-2-yl 4-cyano-5-[[2-(3,4-dichlorophenyl)quinolin-4-yl]carbonylamino]-3-methyl-thiophene-2-carboxylate

Systemtic Name: propan-2-yl 4-cyano-5-[[2-(3,4-dichlorophenyl)quinolin-4-yl]carbonylamino]-3-methyl-thiophene-2-carboxylate Openeye Name: isopropyl 4-cyano-5-[[2-(3,4-dichlorophenyl)quinoline-4-carbonyl]amino]-3-methyl-thiophene-2-carboxylate CAS Name: 4-cyano-5-[[[2-(3,4-dichlorophenyl)-4-quinolinyl]-oxomethyl]amino]-3-methyl-2-thiophenecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-cyano-5-[[2-(3,4-dichlorophenyl)quinoline-4-carbonyl]amino]-3-methylthiophene-2-carboxylate Traditional Name: 4-cyano-5-[[2-(3,4-dichlorophenyl)quinoline-4-carbonyl]amino]-3-methyl-thiophene-2-carboxylic acid isopropyl ester Formula: C26H19Cl2N3O3S MolecularWeight: 524.41836

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC(=C(C=C4)Cl)Cl)C(=O)OC(C)C

Isomeric SMILES

CC1=C(SC(=C1C#N)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC(=C(C=C4)Cl)Cl)C(=O)OC(C)C

InChI

InChI=1S/C26H19Cl2N3O3S/c1-13(2)34-26(33)23-14(3)18(12-29)25(35-23)31-24(32)17-11-22(15-8-9-19(27)20(28)10-15)30-21-7-5-4-6-16(17)21/h4-11,13H,1-3H3,(H,31,32)