[2-oxidanylidene-2-(prop-2-enylcarbamoylamino)ethyl] 4-methylsulfanyl-3-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-enylcarbamoylamino)ethyl] 4-methylsulfanyl-3-nitro-benzoate Openeye Name: [2-(allylcarbamoylamino)-2-oxo-ethyl] 4-methylsulfanyl-3-nitro-benzoate CAS Name: 4-(methylthio)-3-nitrobenzoic acid [2-oxo-2-[[oxo-(prop-2-enylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 4-methylsulfanyl-3-nitrobenzoate Traditional Name: 4-(methylthio)-3-nitro-benzoic acid [2-(allylcarbamoylamino)-2-keto-ethyl] ester Formula: C14H15N3O6S MolecularWeight: 353.3504

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)C(=O)OCC(=O)NC(=O)NCC=C)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)C(=O)OCC(=O)NC(=O)NCC=C)[N+](=O)[O-]

InChI

InChI=1S/C14H15N3O6S/c1-3-6-15-14(20)16-12(18)8-23-13(19)9-4-5-11(24-2)10(7-9)17(21)22/h3-5,7H,1,6,8H2,2H3,(H2,15,16,18,20)