(3,3-dimethyl-2-oxidanylidene-butyl) 2-[(4-methylsulfanyl-3-nitro-phenyl)sulfonylamino]ethanoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-[(4-methylsulfanyl-3-nitro-phenyl)sulfonylamino]ethanoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-[(4-methylsulfanyl-3-nitro-phenyl)sulfonylamino]acetate CAS Name: 2-[[4-(methylthio)-3-nitrophenyl]sulfonylamino]acetic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-[(4-methylsulfanyl-3-nitrophenyl)sulfonylamino]acetate Traditional Name: 2-[[4-(methylthio)-3-nitro-phenyl]sulfonylamino]acetic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C15H20N2O7S2 MolecularWeight: 404.4585

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N2O7S2/c1-15(2,3)13(18)9-24-14(19)8-16-26(22,23)10-5-6-12(25-4)11(7-10)17(20)21/h5-7,16H,8-9H2,1-4H3