[2-oxidanylidene-2-(propylcarbamoylamino)ethyl] 2-[(4-methylsulfanyl-3-nitro-phenyl)sulfonylamino]ethanoate

Systemtic Name: [2-oxidanylidene-2-(propylcarbamoylamino)ethyl] 2-[(4-methylsulfanyl-3-nitro-phenyl)sulfonylamino]ethanoate Openeye Name: [2-oxo-2-(propylcarbamoylamino)ethyl] 2-[(4-methylsulfanyl-3-nitro-phenyl)sulfonylamino]acetate CAS Name: 2-[[4-(methylthio)-3-nitrophenyl]sulfonylamino]acetic acid [2-oxo-2-[[oxo(propylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(propylcarbamoylamino)ethyl] 2-[(4-methylsulfanyl-3-nitrophenyl)sulfonylamino]acetate Traditional Name: 2-[[4-(methylthio)-3-nitro-phenyl]sulfonylamino]acetic acid [2-keto-2-(propylcarbamoylamino)ethyl] ester Formula: C15H20N4O8S2 MolecularWeight: 448.4713

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)NC(=O)COC(=O)CNS(=O)(=O)C1=CC(=C(C=C1)SC)[N+](=O)[O-]

Isomeric SMILES

CCCNC(=O)NC(=O)COC(=O)CNS(=O)(=O)C1=CC(=C(C=C1)SC)[N+](=O)[O-]

InChI

InChI=1S/C15H20N4O8S2/c1-3-6-16-15(22)18-13(20)9-27-14(21)8-17-29(25,26)10-4-5-12(28-2)11(7-10)19(23)24/h4-5,7,17H,3,6,8-9H2,1-2H3,(H2,16,18,20,22)