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

Systemtic Name: methyl 2-[4-(2-pyridin-2-yl-1H-indol-3-yl)butanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[4-[2-(2-pyridyl)-1H-indol-3-yl]butanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[1-oxo-4-[2-(2-pyridinyl)-1H-indol-3-yl]butyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[4-(2-pyridin-2-yl-1H-indol-3-yl)butanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[4-[2-(2-pyridyl)-1H-indol-3-yl]butanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C27H27N3O3S MolecularWeight: 473.58658

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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=CC=CC=N5

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)CCCC3=C(NC4=CC=CC=C43)C5=CC=CC=N5

InChI

InChI=1S/C27H27N3O3S/c1-33-27(32)24-19-10-3-5-14-22(19)34-26(24)30-23(31)15-8-11-18-17-9-2-4-12-20(17)29-25(18)21-13-6-7-16-28-21/h2,4,6-7,9,12-13,16,29H,3,5,8,10-11,14-15H2,1H3,(H,30,31)