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

Systemtic Name: methyl 2-[4-(5-methyl-2-quinolin-2-yl-1H-indol-3-yl)butanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[4-[5-methyl-2-(2-quinolyl)-1H-indol-3-yl]butanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[4-[5-methyl-2-(2-quinolinyl)-1H-indol-3-yl]-1-oxobutyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[4-(5-methyl-2-quinolin-2-yl-1H-indol-3-yl)butanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[4-[5-methyl-2-(2-quinolyl)-1H-indol-3-yl]butanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C32H31N3O3S MolecularWeight: 537.67184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=C2CCCC(=O)NC3=C(C4=C(S3)CCCC4)C(=O)OC)C5=NC6=CC=CC=C6C=C5

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=C2CCCC(=O)NC3=C(C4=C(S3)CCCC4)C(=O)OC)C5=NC6=CC=CC=C6C=C5

InChI

InChI=1S/C32H31N3O3S/c1-19-14-16-25-23(18-19)21(30(34-25)26-17-15-20-8-3-5-11-24(20)33-26)10-7-13-28(36)35-31-29(32(37)38-2)22-9-4-6-12-27(22)39-31/h3,5,8,11,14-18,34H,4,6-7,9-10,12-13H2,1-2H3,(H,35,36)