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

Systemtic Name: ethyl (3R)-1-[2-(1-methylimidazol-2-yl)sulfanylethanoyl]piperidine-3-carboxylate Openeye Name: ethyl (3R)-1-[2-(1-methylimidazol-2-yl)sulfanylacetyl]piperidine-3-carboxylate CAS Name: (3R)-1-[2-[(1-methyl-2-imidazolyl)thio]-1-oxoethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-1-[2-(1-methylimidazol-2-yl)sulfanylacetyl]piperidine-3-carboxylate Traditional Name: (3R)-1-[2-[(1-methylimidazol-2-yl)thio]acetyl]nipecotic acid ethyl ester Formula: C14H21N3O3S MolecularWeight: 311.39984

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)CSC2=NC=CN2C

Isomeric SMILES

CCOC(=O)[C@@H]1CCCN(C1)C(=O)CSC2=NC=CN2C

InChI

InChI=1S/C14H21N3O3S/c1-3-20-13(19)11-5-4-7-17(9-11)12(18)10-21-14-15-6-8-16(14)2/h6,8,11H,3-5,7,9-10H2,1-2H3/t11-/m1/s1