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

Systemtic Name: [2-oxidanylidene-2-(propylamino)ethyl] 2-[(4-methylsulfanyl-3-nitro-phenyl)sulfonylamino]ethanoate Openeye Name: [2-oxo-2-(propylamino)ethyl] 2-[(4-methylsulfanyl-3-nitro-phenyl)sulfonylamino]acetate CAS Name: 2-[[4-(methylthio)-3-nitrophenyl]sulfonylamino]acetic acid [2-oxo-2-(propylamino)ethyl] ester IUPAC Name: [2-oxo-2-(propylamino)ethyl] 2-[(4-methylsulfanyl-3-nitrophenyl)sulfonylamino]acetate Traditional Name: 2-[[4-(methylthio)-3-nitro-phenyl]sulfonylamino]acetic acid [2-keto-2-(propylamino)ethyl] ester Formula: C14H19N3O7S2 MolecularWeight: 405.44656

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19N3O7S2/c1-3-6-15-13(18)9-24-14(19)8-16-26(22,23)10-4-5-12(25-2)11(7-10)17(20)21/h4-5,7,16H,3,6,8-9H2,1-2H3,(H,15,18)