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

Systemtic Name: butyl 2-[[2-(2-methylphenyl)quinolin-4-yl]carbonylamino]-1-benzothiophene-3-carboxylate Openeye Name: butyl 2-[[2-(o-tolyl)quinoline-4-carbonyl]amino]benzothiophene-3-carboxylate CAS Name: 2-[[[2-(2-methylphenyl)-4-quinolinyl]-oxomethyl]amino]-1-benzothiophene-3-carboxylic acid butyl ester IUPAC Name: butyl 2-[[2-(2-methylphenyl)quinoline-4-carbonyl]amino]-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(o-tolyl)quinoline-4-carbonyl]amino]benzothiophene-3-carboxylic acid butyl ester Formula: C30H26N2O3S MolecularWeight: 494.60404

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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=CC=CC=C5C

Isomeric SMILES

CCCCOC(=O)C1=C(SC2=CC=CC=C21)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5C

InChI

InChI=1S/C30H26N2O3S/c1-3-4-17-35-30(34)27-22-14-8-10-16-26(22)36-29(27)32-28(33)23-18-25(20-12-6-5-11-19(20)2)31-24-15-9-7-13-21(23)24/h5-16,18H,3-4,17H2,1-2H3,(H,32,33)