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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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