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

Systemtic Name: methyl 1-[2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylethanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]piperidine-4-carboxylate CAS Name: 1-[2-[[1-(2,4-dimethylphenyl)-2-imidazolyl]thio]-1-oxoethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[[1-(2,4-dimethylphenyl)imidazol-2-yl]thio]acetyl]isonipecotic acid methyl ester Formula: C20H25N3O3S MolecularWeight: 387.4958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C=CN=C2SCC(=O)N3CCC(CC3)C(=O)OC)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C=CN=C2SCC(=O)N3CCC(CC3)C(=O)OC)C

InChI

InChI=1S/C20H25N3O3S/c1-14-4-5-17(15(2)12-14)23-11-8-21-20(23)27-13-18(24)22-9-6-16(7-10-22)19(25)26-3/h4-5,8,11-12,16H,6-7,9-10,13H2,1-3H3