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

Systemtic Name: cyanomethyl 2-[(4-methylsulfanyl-3-nitro-phenyl)sulfonylamino]ethanoate Openeye Name: cyanomethyl 2-[(4-methylsulfanyl-3-nitro-phenyl)sulfonylamino]acetate CAS Name: 2-[[4-(methylthio)-3-nitrophenyl]sulfonylamino]acetic acid cyanomethyl ester IUPAC Name: cyanomethyl 2-[(4-methylsulfanyl-3-nitrophenyl)sulfonylamino]acetate Traditional Name: 2-[[4-(methylthio)-3-nitro-phenyl]sulfonylamino]acetic acid cyanomethyl ester Formula: C11H11N3O6S2 MolecularWeight: 345.35154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11N3O6S2/c1-21-10-3-2-8(6-9(10)14(16)17)22(18,19)13-7-11(15)20-5-4-12/h2-3,6,13H,5,7H2,1H3