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

Systemtic Name: methyl 2-[4-(5-chloranyl-2-pyridin-2-yl-1H-indol-3-yl)butanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[4-[5-chloro-2-(2-pyridyl)-1H-indol-3-yl]butanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[4-[5-chloro-2-(2-pyridinyl)-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-chloro-2-pyridin-2-yl-1H-indol-3-yl)butanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[4-[5-chloro-2-(2-pyridyl)-1H-indol-3-yl]butanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C27H26ClN3O3S MolecularWeight: 508.03164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H26ClN3O3S/c1-34-27(33)24-18-7-2-3-10-22(18)35-26(24)31-23(32)11-6-8-17-19-15-16(28)12-13-20(19)30-25(17)21-9-4-5-14-29-21/h4-5,9,12-15,30H,2-3,6-8,10-11H2,1H3,(H,31,32)