methyl 1-[2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanylethanoyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanylethanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-[1-(4-isopropylphenyl)imidazol-2-yl]sulfanylacetyl]piperidine-4-carboxylate CAS Name: 1-[1-oxo-2-[[1-(4-propan-2-ylphenyl)-2-imidazolyl]thio]ethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanylacetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[(1-p-cumenylimidazol-2-yl)thio]acetyl]isonipecotic acid methyl ester Formula: C21H27N3O3S MolecularWeight: 401.52238

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O3S/c1-15(2)16-4-6-18(7-5-16)24-13-10-22-21(24)28-14-19(25)23-11-8-17(9-12-23)20(26)27-3/h4-7,10,13,15,17H,8-9,11-12,14H2,1-3H3