2-oxidanylidenepropyl 2-[(4-methylsulfanyl-3-nitro-phenyl)sulfonylamino]ethanoate

Systemtic Name: 2-oxidanylidenepropyl 2-[(4-methylsulfanyl-3-nitro-phenyl)sulfonylamino]ethanoate Openeye Name: acetonyl 2-[(4-methylsulfanyl-3-nitro-phenyl)sulfonylamino]acetate CAS Name: 2-[[4-(methylthio)-3-nitrophenyl]sulfonylamino]acetic acid 2-oxopropyl ester IUPAC Name: 2-oxopropyl 2-[(4-methylsulfanyl-3-nitrophenyl)sulfonylamino]acetate Traditional Name: 2-[[4-(methylthio)-3-nitro-phenyl]sulfonylamino]acetic acid acetonyl ester Formula: C12H14N2O7S2 MolecularWeight: 362.37876

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N2O7S2/c1-8(15)7-21-12(16)6-13-23(19,20)9-3-4-11(22-2)10(5-9)14(17)18/h3-5,13H,6-7H2,1-2H3