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

Systemtic Name: [1-oxidanylidene-1-(phenethylamino)propan-2-yl] 2-methylsulfanyl-3-phenyl-imidazole-4-carboxylate Openeye Name: [1-methyl-2-oxo-2-(phenethylamino)ethyl] 2-methylsulfanyl-3-phenyl-imidazole-4-carboxylate CAS Name: 2-(methylthio)-3-phenyl-4-imidazolecarboxylic acid [1-oxo-1-(phenethylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(phenethylamino)propan-2-yl] 2-methylsulfanyl-3-phenylimidazole-4-carboxylate Traditional Name: 2-(methylthio)-3-phenyl-imidazole-4-carboxylic acid [2-keto-1-methyl-2-(phenethylamino)ethyl] ester Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CC=CC=C1)OC(=O)C2=CN=C(N2C3=CC=CC=C3)SC

Isomeric SMILES

CC(C(=O)NCCC1=CC=CC=C1)OC(=O)C2=CN=C(N2C3=CC=CC=C3)SC

InChI

InChI=1S/C22H23N3O3S/c1-16(20(26)23-14-13-17-9-5-3-6-10-17)28-21(27)19-15-24-22(29-2)25(19)18-11-7-4-8-12-18/h3-12,15-16H,13-14H2,1-2H3,(H,23,26)