methyl 1-[2-[1-(3-chloranyl-2-methyl-phenyl)imidazol-2-yl]sulfanylethanoyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-[1-(3-chloranyl-2-methyl-phenyl)imidazol-2-yl]sulfanylethanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-[1-(3-chloro-2-methyl-phenyl)imidazol-2-yl]sulfanylacetyl]piperidine-4-carboxylate CAS Name: 1-[2-[[1-(3-chloro-2-methylphenyl)-2-imidazolyl]thio]-1-oxoethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[1-(3-chloro-2-methylphenyl)imidazol-2-yl]sulfanylacetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[[1-(3-chloro-2-methyl-phenyl)imidazol-2-yl]thio]acetyl]isonipecotic acid methyl ester Formula: C19H22ClN3O3S MolecularWeight: 407.91428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)N2C=CN=C2SCC(=O)N3CCC(CC3)C(=O)OC

Isomeric SMILES

CC1=C(C=CC=C1Cl)N2C=CN=C2SCC(=O)N3CCC(CC3)C(=O)OC

InChI

InChI=1S/C19H22ClN3O3S/c1-13-15(20)4-3-5-16(13)23-11-8-21-19(23)27-12-17(24)22-9-6-14(7-10-22)18(25)26-2/h3-5,8,11,14H,6-7,9-10,12H2,1-2H3