(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[(4-methylsulfanyl-3-nitro-phenyl)sulfonylamino]ethanoate

Systemtic Name: (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[(4-methylsulfanyl-3-nitro-phenyl)sulfonylamino]ethanoate Openeye Name: (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[(4-methylsulfanyl-3-nitro-phenyl)sulfonylamino]acetate CAS Name: 2-[[4-(methylthio)-3-nitrophenyl]sulfonylamino]acetic acid (5-phenyl-1,3,4-oxadiazol-2-yl)methyl ester IUPAC Name: (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[(4-methylsulfanyl-3-nitrophenyl)sulfonylamino]acetate Traditional Name: 2-[[4-(methylthio)-3-nitro-phenyl]sulfonylamino]acetic acid (5-phenyl-1,3,4-oxadiazol-2-yl)methyl ester Formula: C18H16N4O7S2 MolecularWeight: 464.47224

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)OCC2=NN=C(O2)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)OCC2=NN=C(O2)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H16N4O7S2/c1-30-15-8-7-13(9-14(15)22(24)25)31(26,27)19-10-17(23)28-11-16-20-21-18(29-16)12-5-3-2-4-6-12/h2-9,19H,10-11H2,1H3