butyl 2-[[2-(3,4-dichlorophenyl)quinolin-4-yl]carbonylamino]-1-benzothiophene-3-carboxylate

Systemtic Name: butyl 2-[[2-(3,4-dichlorophenyl)quinolin-4-yl]carbonylamino]-1-benzothiophene-3-carboxylate Openeye Name: butyl 2-[[2-(3,4-dichlorophenyl)quinoline-4-carbonyl]amino]benzothiophene-3-carboxylate CAS Name: 2-[[[2-(3,4-dichlorophenyl)-4-quinolinyl]-oxomethyl]amino]-1-benzothiophene-3-carboxylic acid butyl ester IUPAC Name: butyl 2-[[2-(3,4-dichlorophenyl)quinoline-4-carbonyl]amino]-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(3,4-dichlorophenyl)quinoline-4-carbonyl]amino]benzothiophene-3-carboxylic acid butyl ester Formula: C29H22Cl2N2O3S MolecularWeight: 549.46758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H22Cl2N2O3S/c1-2-3-14-36-29(35)26-19-9-5-7-11-25(19)37-28(26)33-27(34)20-16-24(17-12-13-21(30)22(31)15-17)32-23-10-6-4-8-18(20)23/h4-13,15-16H,2-3,14H2,1H3,(H,33,34)