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

Systemtic Name: butyl 2-[[2-(2,4-dimethoxyphenyl)quinolin-4-yl]carbonylamino]-1-benzothiophene-3-carboxylate Openeye Name: butyl 2-[[2-(2,4-dimethoxyphenyl)quinoline-4-carbonyl]amino]benzothiophene-3-carboxylate CAS Name: 2-[[[2-(2,4-dimethoxyphenyl)-4-quinolinyl]-oxomethyl]amino]-1-benzothiophene-3-carboxylic acid butyl ester IUPAC Name: butyl 2-[[2-(2,4-dimethoxyphenyl)quinoline-4-carbonyl]amino]-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(2,4-dimethoxyphenyl)quinoline-4-carbonyl]amino]benzothiophene-3-carboxylic acid butyl ester Formula: C31H28N2O5S MolecularWeight: 540.62942

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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=C(C=C(C=C5)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C31H28N2O5S/c1-4-5-16-38-31(35)28-22-11-7-9-13-27(22)39-30(28)33-29(34)23-18-25(32-24-12-8-6-10-20(23)24)21-15-14-19(36-2)17-26(21)37-3/h6-15,17-18H,4-5,16H2,1-3H3,(H,33,34)