methyl 2-[4-(2-quinolin-2-yl-1H-indol-3-yl)butanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[4-(2-quinolin-2-yl-1H-indol-3-yl)butanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[4-[2-(2-quinolyl)-1H-indol-3-yl]butanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[1-oxo-4-[2-(2-quinolinyl)-1H-indol-3-yl]butyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[4-(2-quinolin-2-yl-1H-indol-3-yl)butanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[4-[2-(2-quinolyl)-1H-indol-3-yl]butanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C31H29N3O3S MolecularWeight: 523.64526

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)CCCC3=C(NC4=CC=CC=C43)C5=NC6=CC=CC=C6C=C5

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)CCCC3=C(NC4=CC=CC=C43)C5=NC6=CC=CC=C6C=C5

InChI

InChI=1S/C31H29N3O3S/c1-37-31(36)28-22-11-4-7-15-26(22)38-30(28)34-27(35)16-8-12-21-20-10-3-6-14-24(20)33-29(21)25-18-17-19-9-2-5-13-23(19)32-25/h2-3,5-6,9-10,13-14,17-18,33H,4,7-8,11-12,15-16H2,1H3,(H,34,35)