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

Systemtic Name: ethyl 2-[4-(2-pyridin-2-yl-1H-indol-3-yl)butanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C28H29N3O3S MolecularWeight: 487.61316

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H29N3O3S/c1-2-34-28(33)25-20-11-4-6-15-23(20)35-27(25)31-24(32)16-9-12-19-18-10-3-5-13-21(18)30-26(19)22-14-7-8-17-29-22/h3,5,7-8,10,13-14,17,30H,2,4,6,9,11-12,15-16H2,1H3,(H,31,32)