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

Systemtic Name: (2-cyanophenyl)methyl 2-[(4-methylsulfanyl-3-nitro-phenyl)sulfonylamino]ethanoate Openeye Name: (2-cyanophenyl)methyl 2-[(4-methylsulfanyl-3-nitro-phenyl)sulfonylamino]acetate CAS Name: 2-[[4-(methylthio)-3-nitrophenyl]sulfonylamino]acetic acid (2-cyanophenyl)methyl ester IUPAC Name: (2-cyanophenyl)methyl 2-[(4-methylsulfanyl-3-nitrophenyl)sulfonylamino]acetate Traditional Name: 2-[[4-(methylthio)-3-nitro-phenyl]sulfonylamino]acetic acid (2-cyanobenzyl) ester Formula: C17H15N3O6S2 MolecularWeight: 421.4475

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)OCC2=CC=CC=C2C#N)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)OCC2=CC=CC=C2C#N)[N+](=O)[O-]

InChI

InChI=1S/C17H15N3O6S2/c1-27-16-7-6-14(8-15(16)20(22)23)28(24,25)19-10-17(21)26-11-13-5-3-2-4-12(13)9-18/h2-8,19H,10-11H2,1H3