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

Systemtic Name: ethyl (2R)-1-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanoyl]piperidine-2-carboxylate Openeye Name: ethyl (2R)-1-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]piperidine-2-carboxylate CAS Name: (2R)-1-[2-[(6-methyl-1H-benzimidazol-2-yl)thio]-1-oxoethyl]-2-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (2R)-1-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]piperidine-2-carboxylate Traditional Name: (2R)-1-[2-[(6-methyl-1H-benzimidazol-2-yl)thio]acetyl]pipecolinic acid ethyl ester Formula: C18H23N3O3S MolecularWeight: 361.45852

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCCN1C(=O)CSC2=NC3=C(N2)C=C(C=C3)C

Isomeric SMILES

CCOC(=O)[C@H]1CCCCN1C(=O)CSC2=NC3=C(N2)C=C(C=C3)C

InChI

InChI=1S/C18H23N3O3S/c1-3-24-17(23)15-6-4-5-9-21(15)16(22)11-25-18-19-13-8-7-12(2)10-14(13)20-18/h7-8,10,15H,3-6,9,11H2,1-2H3,(H,19,20)/t15-/m1/s1