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

Systemtic Name: ethyl 2-[4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[4-[5-methyl-2-(2-pyridyl)-1H-indol-3-yl]butanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[4-[5-methyl-2-(2-pyridinyl)-1H-indol-3-yl]-1-oxobutyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[4-[5-methyl-2-(2-pyridyl)-1H-indol-3-yl]butanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C29H31N3O3S MolecularWeight: 501.63974

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CCCC3=C(NC4=C3C=C(C=C4)C)C5=CC=CC=N5

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CCCC3=C(NC4=C3C=C(C=C4)C)C5=CC=CC=N5

InChI

InChI=1S/C29H31N3O3S/c1-3-35-29(34)26-20-9-4-5-12-24(20)36-28(26)32-25(33)13-8-10-19-21-17-18(2)14-15-22(21)31-27(19)23-11-6-7-16-30-23/h6-7,11,14-17,31H,3-5,8-10,12-13H2,1-2H3,(H,32,33)