ethyl 1-[2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylethanoyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylethanoyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetyl]piperidine-3-carboxylate CAS Name: 1-[2-[[1-(2-methoxyethyl)-2-benzimidazolyl]thio]-1-oxoethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetyl]piperidine-3-carboxylate Traditional Name: 1-[2-[[1-(2-methoxyethyl)benzimidazol-2-yl]thio]acetyl]nipecotic acid ethyl ester Formula: C20H27N3O4S MolecularWeight: 405.51108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)CSC2=NC3=CC=CC=C3N2CCOC

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)CSC2=NC3=CC=CC=C3N2CCOC

InChI

InChI=1S/C20H27N3O4S/c1-3-27-19(25)15-7-6-10-22(13-15)18(24)14-28-20-21-16-8-4-5-9-17(16)23(20)11-12-26-2/h4-5,8-9,15H,3,6-7,10-14H2,1-2H3