[(2S)-1-(ethylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 4-methylsulfanyl-3-nitro-benzoate

Systemtic Name: [(2S)-1-(ethylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 4-methylsulfanyl-3-nitro-benzoate Openeye Name: [(1S)-2-(ethylcarbamoylamino)-1-methyl-2-oxo-ethyl] 4-methylsulfanyl-3-nitro-benzoate CAS Name: 4-(methylthio)-3-nitrobenzoic acid [(2S)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 4-methylsulfanyl-3-nitrobenzoate Traditional Name: 4-(methylthio)-3-nitro-benzoic acid [(1S)-2-(ethylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C14H17N3O6S MolecularWeight: 355.36628

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC(=O)C(C)OC(=O)C1=CC(=C(C=C1)SC)[N+](=O)[O-]

Isomeric SMILES

CCNC(=O)NC(=O)[C@H](C)OC(=O)C1=CC(=C(C=C1)SC)[N+](=O)[O-]

InChI

InChI=1S/C14H17N3O6S/c1-4-15-14(20)16-12(18)8(2)23-13(19)9-5-6-11(24-3)10(7-9)17(21)22/h5-8H,4H2,1-3H3,(H2,15,16,18,20)/t8-/m0/s1