ethyl 1-[2-(1H-benzimidazol-2-ylsulfanyl)ethanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-(1H-benzimidazol-2-ylsulfanyl)ethanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]piperidine-4-carboxylate CAS Name: 1-[2-(1H-benzimidazol-2-ylthio)-1-oxoethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-(1H-benzimidazol-2-ylthio)acetyl]isonipecotic acid ethyl ester Formula: C17H21N3O3S MolecularWeight: 347.43194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)CSC2=NC3=CC=CC=C3N2

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)CSC2=NC3=CC=CC=C3N2

InChI

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