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

Systemtic Name: butyl 2-[[2-(2,4-dichlorophenyl)-3-methyl-quinolin-4-yl]carbonylamino]-1-benzothiophene-3-carboxylate Openeye Name: butyl 2-[[2-(2,4-dichlorophenyl)-3-methyl-quinoline-4-carbonyl]amino]benzothiophene-3-carboxylate CAS Name: 2-[[[2-(2,4-dichlorophenyl)-3-methyl-4-quinolinyl]-oxomethyl]amino]-1-benzothiophene-3-carboxylic acid butyl ester IUPAC Name: butyl 2-[[2-(2,4-dichlorophenyl)-3-methylquinoline-4-carbonyl]amino]-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(2,4-dichlorophenyl)-3-methyl-quinoline-4-carbonyl]amino]benzothiophene-3-carboxylic acid butyl ester Formula: C30H24Cl2N2O3S MolecularWeight: 563.49416

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H24Cl2N2O3S/c1-3-4-15-37-30(36)26-21-10-6-8-12-24(21)38-29(26)34-28(35)25-17(2)27(19-14-13-18(31)16-22(19)32)33-23-11-7-5-9-20(23)25/h5-14,16H,3-4,15H2,1-2H3,(H,34,35)