methyl 2-isocyanatosulfonyl-4-methylsulfanyl-benzoate

Systemtic Name: methyl 2-isocyanatosulfonyl-4-methylsulfanyl-benzoate Openeye Name: methyl 2-isocyanatosulfonyl-4-methylsulfanyl-benzoate CAS Name: 2-isocyanatosulfonyl-4-(methylthio)benzoic acid methyl ester IUPAC Name: methyl 2-isocyanatosulfonyl-4-methylsulfanylbenzoate Traditional Name: 2-isocyanatosulfonyl-4-(methylthio)benzoic acid methyl ester Formula: C10H9NO5S2 MolecularWeight: 287.31216

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(C=C1)SC)S(=O)(=O)N=C=O

Isomeric SMILES

COC(=O)C1=C(C=C(C=C1)SC)S(=O)(=O)N=C=O

InChI

InChI=1S/C10H9NO5S2/c1-16-10(13)8-4-3-7(17-2)5-9(8)18(14,15)11-6-12/h3-5H,1-2H3