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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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