methyl 3-[[2-[2-(6-cyano-1-methyl-indol-2-yl)ethyl]pyrrolidin-1-yl]methyl]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-[[2-[2-(6-cyano-1-methyl-indol-2-yl)ethyl]pyrrolidin-1-yl]methyl]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-[[2-[2-(6-cyano-1-methyl-indol-2-yl)ethyl]pyrrolidin-1-yl]methyl]benzothiophene-2-carboxylate CAS Name: 3-[[2-[2-(6-cyano-1-methyl-2-indolyl)ethyl]-1-pyrrolidinyl]methyl]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[[2-[2-(6-cyano-1-methylindol-2-yl)ethyl]pyrrolidin-1-yl]methyl]-1-benzothiophene-2-carboxylate Traditional Name: 3-[[2-[2-(6-cyano-1-methyl-indol-2-yl)ethyl]pyrrolidino]methyl]benzothiophene-2-carboxylic acid methyl ester Formula: C27H27N3O2S MolecularWeight: 457.58718

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC2=C1C=C(C=C2)C#N)CCC3CCCN3CC4=C(SC5=CC=CC=C54)C(=O)OC

Isomeric SMILES

CN1C(=CC2=C1C=C(C=C2)C#N)CCC3CCCN3CC4=C(SC5=CC=CC=C54)C(=O)OC

InChI

InChI=1S/C27H27N3O2S/c1-29-21(15-19-10-9-18(16-28)14-24(19)29)12-11-20-6-5-13-30(20)17-23-22-7-3-4-8-25(22)33-26(23)27(31)32-2/h3-4,7-10,14-15,20H,5-6,11-13,17H2,1-2H3