(4,5-dimethoxy-2-nitro-phenyl)methyl N-(2-methylsulfonylsulfanylethyl)carbamate

Systemtic Name: (4,5-dimethoxy-2-nitro-phenyl)methyl N-(2-methylsulfonylsulfanylethyl)carbamate Openeye Name: (4,5-dimethoxy-2-nitro-phenyl)methyl N-(2-methylsulfonylsulfanylethyl)carbamate CAS Name: N-[2-(methylsulfonylthio)ethyl]carbamic acid (4,5-dimethoxy-2-nitrophenyl)methyl ester IUPAC Name: (4,5-dimethoxy-2-nitrophenyl)methyl N-(2-methylsulfonylsulfanylethyl)carbamate Traditional Name: N-[2-(mesylthio)ethyl]carbamic acid (4,5-dimethoxy-2-nitro-benzyl) ester Formula: C13H18N2O8S2 MolecularWeight: 394.42062

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)COC(=O)NCCSS(=O)(=O)C)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)COC(=O)NCCSS(=O)(=O)C)[N+](=O)[O-])OC

InChI

InChI=1S/C13H18N2O8S2/c1-21-11-6-9(10(15(17)18)7-12(11)22-2)8-23-13(16)14-4-5-24-25(3,19)20/h6-7H,4-5,8H2,1-3H3,(H,14,16)