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

Systemtic Name: [(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl] 2-methylsulfanyl-3-phenyl-imidazole-4-carboxylate Openeye Name: [(1S)-1-methyl-2-oxo-2-(propylamino)ethyl] 2-methylsulfanyl-3-phenyl-imidazole-4-carboxylate CAS Name: 2-(methylthio)-3-phenyl-4-imidazolecarboxylic acid [(2S)-1-oxo-1-(propylamino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(propylamino)propan-2-yl] 2-methylsulfanyl-3-phenylimidazole-4-carboxylate Traditional Name: 2-(methylthio)-3-phenyl-imidazole-4-carboxylic acid [(1S)-2-keto-1-methyl-2-(propylamino)ethyl] ester Formula: C17H21N3O3S MolecularWeight: 347.43194

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCNC(=O)[C@H](C)OC(=O)C1=CN=C(N1C2=CC=CC=C2)SC

InChI

InChI=1S/C17H21N3O3S/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/h5-9,11-12H,4,10H2,1-3H3,(H,18,21)/t12-/m0/s1