butyl 2-[[2-(5-methylthiophen-2-yl)quinolin-4-yl]carbonylamino]-1-benzothiophene-3-carboxylate

Systemtic Name: butyl 2-[[2-(5-methylthiophen-2-yl)quinolin-4-yl]carbonylamino]-1-benzothiophene-3-carboxylate Openeye Name: butyl 2-[[2-(5-methyl-2-thienyl)quinoline-4-carbonyl]amino]benzothiophene-3-carboxylate CAS Name: 2-[[[2-(5-methyl-2-thiophenyl)-4-quinolinyl]-oxomethyl]amino]-1-benzothiophene-3-carboxylic acid butyl ester IUPAC Name: butyl 2-[[2-(5-methylthiophen-2-yl)quinoline-4-carbonyl]amino]-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(5-methyl-2-thienyl)quinoline-4-carbonyl]amino]benzothiophene-3-carboxylic acid butyl ester Formula: C28H24N2O3S2 MolecularWeight: 500.63176

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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(S5)C

Isomeric SMILES

CCCCOC(=O)C1=C(SC2=CC=CC=C21)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(S5)C

InChI

InChI=1S/C28H24N2O3S2/c1-3-4-15-33-28(32)25-19-10-6-8-12-23(19)35-27(25)30-26(31)20-16-22(24-14-13-17(2)34-24)29-21-11-7-5-9-18(20)21/h5-14,16H,3-4,15H2,1-2H3,(H,30,31)