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

Systemtic Name: butyl 2-[[2-(4-methoxyphenyl)quinolin-4-yl]carbonylamino]-1-benzothiophene-3-carboxylate Openeye Name: butyl 2-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]benzothiophene-3-carboxylate CAS Name: 2-[[[2-(4-methoxyphenyl)-4-quinolinyl]-oxomethyl]amino]-1-benzothiophene-3-carboxylic acid butyl ester IUPAC Name: butyl 2-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]benzothiophene-3-carboxylic acid butyl ester Formula: C30H26N2O4S MolecularWeight: 510.60344

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C30H26N2O4S/c1-3-4-17-36-30(34)27-22-10-6-8-12-26(22)37-29(27)32-28(33)23-18-25(19-13-15-20(35-2)16-14-19)31-24-11-7-5-9-21(23)24/h5-16,18H,3-4,17H2,1-2H3,(H,32,33)