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

Systemtic Name: butyl 2-[[2-(3,4-dimethylphenyl)quinolin-4-yl]carbonylamino]-1-benzothiophene-3-carboxylate Openeye Name: butyl 2-[[2-(3,4-dimethylphenyl)quinoline-4-carbonyl]amino]benzothiophene-3-carboxylate CAS Name: 2-[[[2-(3,4-dimethylphenyl)-4-quinolinyl]-oxomethyl]amino]-1-benzothiophene-3-carboxylic acid butyl ester IUPAC Name: butyl 2-[[2-(3,4-dimethylphenyl)quinoline-4-carbonyl]amino]-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(3,4-dimethylphenyl)quinoline-4-carbonyl]amino]benzothiophene-3-carboxylic acid butyl ester Formula: C31H28N2O3S MolecularWeight: 508.63062

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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(=C(C=C5)C)C

Isomeric SMILES

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

InChI

InChI=1S/C31H28N2O3S/c1-4-5-16-36-31(35)28-23-11-7-9-13-27(23)37-30(28)33-29(34)24-18-26(21-15-14-19(2)20(3)17-21)32-25-12-8-6-10-22(24)25/h6-15,17-18H,4-5,16H2,1-3H3,(H,33,34)