[1-(2-ethylpiperidin-1-yl)-1-oxidanylidene-propan-2-yl] 2-methylsulfanyl-3-phenyl-imidazole-4-carboxylate

Systemtic Name: [1-(2-ethylpiperidin-1-yl)-1-oxidanylidene-propan-2-yl] 2-methylsulfanyl-3-phenyl-imidazole-4-carboxylate Openeye Name: [2-(2-ethyl-1-piperidyl)-1-methyl-2-oxo-ethyl] 2-methylsulfanyl-3-phenyl-imidazole-4-carboxylate CAS Name: 2-(methylthio)-3-phenyl-4-imidazolecarboxylic acid [1-(2-ethyl-1-piperidinyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-ethylpiperidin-1-yl)-1-oxopropan-2-yl] 2-methylsulfanyl-3-phenylimidazole-4-carboxylate Traditional Name: 2-(methylthio)-3-phenyl-imidazole-4-carboxylic acid [2-(2-ethylpiperidino)-2-keto-1-methyl-ethyl] ester Formula: C21H27N3O3S MolecularWeight: 401.52238

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C(=O)C(C)OC(=O)C2=CN=C(N2C3=CC=CC=C3)SC

Isomeric SMILES

CCC1CCCCN1C(=O)C(C)OC(=O)C2=CN=C(N2C3=CC=CC=C3)SC

InChI

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