[(2R)-1-(aminocarbonylamino)-1-oxidanylidene-propan-2-yl] 4-(4-methylphenyl)sulfanyl-3-nitro-benzoate

Systemtic Name: [(2R)-1-(aminocarbonylamino)-1-oxidanylidene-propan-2-yl] 4-(4-methylphenyl)sulfanyl-3-nitro-benzoate Openeye Name: [(1R)-1-methyl-2-oxo-2-ureido-ethyl] 3-nitro-4-(p-tolylsulfanyl)benzoate CAS Name: 4-[(4-methylphenyl)thio]-3-nitrobenzoic acid [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 4-(4-methylphenyl)sulfanyl-3-nitrobenzoate Traditional Name: 3-nitro-4-(p-tolylthio)benzoic acid [(1R)-2-keto-1-methyl-2-ureido-ethyl] ester Formula: C18H17N3O6S MolecularWeight: 403.40908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)OC(C)C(=O)NC(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)O[C@H](C)C(=O)NC(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C18H17N3O6S/c1-10-3-6-13(7-4-10)28-15-8-5-12(9-14(15)21(25)26)17(23)27-11(2)16(22)20-18(19)24/h3-9,11H,1-2H3,(H3,19,20,22,24)/t11-/m1/s1