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

Systemtic Name: [1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl] 2-methylsulfanyl-3-phenyl-imidazole-4-carboxylate Openeye Name: [2-(allylamino)-1-methyl-2-oxo-ethyl] 2-methylsulfanyl-3-phenyl-imidazole-4-carboxylate CAS Name: 2-(methylthio)-3-phenyl-4-imidazolecarboxylic acid [1-oxo-1-(prop-2-enylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(prop-2-enylamino)propan-2-yl] 2-methylsulfanyl-3-phenylimidazole-4-carboxylate Traditional Name: 2-(methylthio)-3-phenyl-imidazole-4-carboxylic acid [2-(allylamino)-2-keto-1-methyl-ethyl] ester Formula: C17H19N3O3S MolecularWeight: 345.41606

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC=C)OC(=O)C1=CN=C(N1C2=CC=CC=C2)SC

Isomeric SMILES

CC(C(=O)NCC=C)OC(=O)C1=CN=C(N1C2=CC=CC=C2)SC

InChI

InChI=1S/C17H19N3O3S/c1-4-10-18-15(21)12(2)23-16(22)14-11-19-17(24-3)20(14)13-8-6-5-7-9-13/h4-9,11-12H,1,10H2,2-3H3,(H,18,21)