methyl 2-[1-(2-oxidanylidene-2-piperidin-1-yl-ethyl)benzimidazol-2-yl]sulfanylethanoate

Systemtic Name: methyl 2-[1-(2-oxidanylidene-2-piperidin-1-yl-ethyl)benzimidazol-2-yl]sulfanylethanoate Openeye Name: methyl 2-[1-[2-oxo-2-(1-piperidyl)ethyl]benzimidazol-2-yl]sulfanylacetate CAS Name: 2-[[1-[2-oxo-2-(1-piperidinyl)ethyl]-2-benzimidazolyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]sulfanylacetate Traditional Name: 2-[[1-(2-keto-2-piperidino-ethyl)benzimidazol-2-yl]thio]acetic acid methyl ester Formula: C17H21N3O3S MolecularWeight: 347.43194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=NC2=CC=CC=C2N1CC(=O)N3CCCCC3

Isomeric SMILES

COC(=O)CSC1=NC2=CC=CC=C2N1CC(=O)N3CCCCC3

InChI

InChI=1S/C17H21N3O3S/c1-23-16(22)12-24-17-18-13-7-3-4-8-14(13)20(17)11-15(21)19-9-5-2-6-10-19/h3-4,7-8H,2,5-6,9-12H2,1H3