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

Systemtic Name: ethyl 1-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanoyl]piperidine-4-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C18H23N3O3S MolecularWeight: 361.45852

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)CSC2=NC3=C(N2)C=C(C=C3)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)CSC2=NC3=C(N2)C=C(C=C3)C

InChI

InChI=1S/C18H23N3O3S/c1-3-24-17(23)13-6-8-21(9-7-13)16(22)11-25-18-19-14-5-4-12(2)10-15(14)20-18/h4-5,10,13H,3,6-9,11H2,1-2H3,(H,19,20)