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

Systemtic Name: butyl 2-[[2-(4-chlorophenyl)-3-methyl-quinolin-4-yl]carbonylamino]-1-benzothiophene-3-carboxylate Openeye Name: butyl 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 butyl ester IUPAC Name: butyl 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 butyl ester Formula: C30H25ClN2O3S MolecularWeight: 529.0491

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=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

CCCCOC(=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/C30H25ClN2O3S/c1-3-4-17-36-30(35)26-22-10-6-8-12-24(22)37-29(26)33-28(34)25-18(2)27(19-13-15-20(31)16-14-19)32-23-11-7-5-9-21(23)25/h5-16H,3-4,17H2,1-2H3,(H,33,34)