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

Systemtic Name: butyl 2-[[2-(4-methoxyphenyl)-3-methyl-quinolin-4-yl]carbonylamino]-1-benzothiophene-3-carboxylate Openeye Name: butyl 2-[[2-(4-methoxyphenyl)-3-methyl-quinoline-4-carbonyl]amino]benzothiophene-3-carboxylate CAS Name: 2-[[[2-(4-methoxyphenyl)-3-methyl-4-quinolinyl]-oxomethyl]amino]-1-benzothiophene-3-carboxylic acid butyl ester IUPAC Name: butyl 2-[[2-(4-methoxyphenyl)-3-methylquinoline-4-carbonyl]amino]-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(4-methoxyphenyl)-3-methyl-quinoline-4-carbonyl]amino]benzothiophene-3-carboxylic acid butyl ester Formula: C31H28N2O4S MolecularWeight: 524.63002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H28N2O4S/c1-4-5-18-37-31(35)27-23-11-7-9-13-25(23)38-30(27)33-29(34)26-19(2)28(20-14-16-21(36-3)17-15-20)32-24-12-8-6-10-22(24)26/h6-17H,4-5,18H2,1-3H3,(H,33,34)