ethyl 1-[2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylethanoyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylethanoyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]piperidine-3-carboxylate CAS Name: 1-[2-[[1-(3,5-dimethylphenyl)-2-imidazolyl]thio]-1-oxoethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]piperidine-3-carboxylate Traditional Name: 1-[2-[[1-(3,5-dimethylphenyl)imidazol-2-yl]thio]acetyl]nipecotic acid ethyl ester Formula: C21H27N3O3S MolecularWeight: 401.52238

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)CSC2=NC=CN2C3=CC(=CC(=C3)C)C

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)CSC2=NC=CN2C3=CC(=CC(=C3)C)C

InChI

InChI=1S/C21H27N3O3S/c1-4-27-20(26)17-6-5-8-23(13-17)19(25)14-28-21-22-7-9-24(21)18-11-15(2)10-16(3)12-18/h7,9-12,17H,4-6,8,13-14H2,1-3H3