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

Systemtic Name: ethyl 1-[2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylethanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]piperidine-4-carboxylate CAS Name: 1-[2-[[1-(2,3-dimethylphenyl)-2-imidazolyl]thio]-1-oxoethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[[1-(2,3-dimethylphenyl)imidazol-2-yl]thio]acetyl]isonipecotic acid ethyl ester Formula: C21H27N3O3S MolecularWeight: 401.52238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)CSC2=NC=CN2C3=CC=CC(=C3C)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)CSC2=NC=CN2C3=CC=CC(=C3C)C

InChI

InChI=1S/C21H27N3O3S/c1-4-27-20(26)17-8-11-23(12-9-17)19(25)14-28-21-22-10-13-24(21)18-7-5-6-15(2)16(18)3/h5-7,10,13,17H,4,8-9,11-12,14H2,1-3H3