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

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl) 2-[(4-methylsulfanyl-3-nitro-phenyl)sulfonylamino]ethanoate Openeye Name: (2-amino-2-oxo-ethyl) 2-[(4-methylsulfanyl-3-nitro-phenyl)sulfonylamino]acetate CAS Name: 2-[[4-(methylthio)-3-nitrophenyl]sulfonylamino]acetic acid (2-amino-2-oxoethyl) ester IUPAC Name: (2-amino-2-oxoethyl) 2-[(4-methylsulfanyl-3-nitrophenyl)sulfonylamino]acetate Traditional Name: 2-[[4-(methylthio)-3-nitro-phenyl]sulfonylamino]acetic acid (2-amino-2-keto-ethyl) ester Formula: C11H13N3O7S2 MolecularWeight: 363.36682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13N3O7S2/c1-22-9-3-2-7(4-8(9)14(17)18)23(19,20)13-5-11(16)21-6-10(12)15/h2-4,13H,5-6H2,1H3,(H2,12,15)