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

Systemtic Name: methyl 2-[4-(5-methyl-2-pyridin-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-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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C28H29N3O3S MolecularWeight: 487.61316

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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=CC=CC=N5

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=C2CCCC(=O)NC3=C(C4=C(S3)CCCC4)C(=O)OC)C5=CC=CC=N5

InChI

InChI=1S/C28H29N3O3S/c1-17-13-14-21-20(16-17)18(26(30-21)22-10-5-6-15-29-22)9-7-12-24(32)31-27-25(28(33)34-2)19-8-3-4-11-23(19)35-27/h5-6,10,13-16,30H,3-4,7-9,11-12H2,1-2H3,(H,31,32)