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

Systemtic Name: ethyl 1-[2-(1-methylbenzimidazol-2-yl)sulfanylethanoyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]piperidine-3-carboxylate CAS Name: 1-[2-[(1-methyl-2-benzimidazolyl)thio]-1-oxoethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]piperidine-3-carboxylate Traditional Name: 1-[2-[(1-methylbenzimidazol-2-yl)thio]acetyl]nipecotic acid ethyl ester Formula: C18H23N3O3S MolecularWeight: 361.45852

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)CSC2=NC3=CC=CC=C3N2C

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)CSC2=NC3=CC=CC=C3N2C

InChI

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