[(1S)-2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-1-phenyl-ethyl] 4-methylsulfanyl-3-nitro-benzoate

Systemtic Name: [(1S)-2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-1-phenyl-ethyl] 4-methylsulfanyl-3-nitro-benzoate Openeye Name: [(1S)-2-[(5-methylisoxazol-3-yl)amino]-2-oxo-1-phenyl-ethyl] 4-methylsulfanyl-3-nitro-benzoate CAS Name: 4-(methylthio)-3-nitrobenzoic acid [(1S)-2-[(5-methyl-3-isoxazolyl)amino]-2-oxo-1-phenylethyl] ester IUPAC Name: [(1S)-2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 4-methylsulfanyl-3-nitrobenzoate Traditional Name: 4-(methylthio)-3-nitro-benzoic acid [(1S)-2-keto-2-[(5-methylisoxazol-3-yl)amino]-1-phenyl-ethyl] ester Formula: C20H17N3O6S MolecularWeight: 427.43048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)C(C2=CC=CC=C2)OC(=O)C3=CC(=C(C=C3)SC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NO1)NC(=O)[C@H](C2=CC=CC=C2)OC(=O)C3=CC(=C(C=C3)SC)[N+](=O)[O-]

InChI

InChI=1S/C20H17N3O6S/c1-12-10-17(22-29-12)21-19(24)18(13-6-4-3-5-7-13)28-20(25)14-8-9-16(30-2)15(11-14)23(26)27/h3-11,18H,1-2H3,(H,21,22,24)/t18-/m0/s1