methyl 1-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanoyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]piperidine-4-carboxylate CAS Name: 1-[2-[(6-methyl-1H-benzimidazol-2-yl)thio]-1-oxoethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[(6-methyl-1H-benzimidazol-2-yl)thio]acetyl]isonipecotic acid methyl ester Formula: C17H21N3O3S MolecularWeight: 347.43194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N2)SCC(=O)N3CCC(CC3)C(=O)OC

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N2)SCC(=O)N3CCC(CC3)C(=O)OC

InChI

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