ethyl 2-[[2-(4-chlorophenyl)-3-methyl-quinolin-4-yl]carbonylamino]-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[[2-(4-chlorophenyl)-3-methyl-quinolin-4-yl]carbonylamino]-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(4-chlorophenyl)-3-methyl-quinoline-4-carbonyl]amino]benzothiophene-3-carboxylate CAS Name: 2-[[[2-(4-chlorophenyl)-3-methyl-4-quinolinyl]-oxomethyl]amino]-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4-chlorophenyl)-3-methylquinoline-4-carbonyl]amino]-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(4-chlorophenyl)-3-methyl-quinoline-4-carbonyl]amino]benzothiophene-3-carboxylic acid ethyl ester Formula: C28H21ClN2O3S MolecularWeight: 500.99594

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=CC=CC=C21)NC(=O)C3=C(C(=NC4=CC=CC=C43)C5=CC=C(C=C5)Cl)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=CC=CC=C21)NC(=O)C3=C(C(=NC4=CC=CC=C43)C5=CC=C(C=C5)Cl)C

InChI

InChI=1S/C28H21ClN2O3S/c1-3-34-28(33)24-20-9-5-7-11-22(20)35-27(24)31-26(32)23-16(2)25(17-12-14-18(29)15-13-17)30-21-10-6-4-8-19(21)23/h4-15H,3H2,1-2H3,(H,31,32)