ethyl 1-[2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylethanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylethanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylacetyl]piperidine-4-carboxylate CAS Name: 1-[2-[[1-(3-chlorophenyl)-2-imidazolyl]thio]-1-oxoethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylacetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[[1-(3-chlorophenyl)imidazol-2-yl]thio]acetyl]isonipecotic acid ethyl ester Formula: C19H22ClN3O3S MolecularWeight: 407.91428

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)CSC2=NC=CN2C3=CC(=CC=C3)Cl

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)CSC2=NC=CN2C3=CC(=CC=C3)Cl

InChI

InChI=1S/C19H22ClN3O3S/c1-2-26-18(25)14-6-9-22(10-7-14)17(24)13-27-19-21-8-11-23(19)16-5-3-4-15(20)12-16/h3-5,8,11-12,14H,2,6-7,9-10,13H2,1H3