methyl 2-isocyanatosulfonyl-3-methylsulfanyl-benzoate

Systemtic Name: methyl 2-isocyanatosulfonyl-3-methylsulfanyl-benzoate Openeye Name: methyl 2-isocyanatosulfonyl-3-methylsulfanyl-benzoate CAS Name: 2-isocyanatosulfonyl-3-(methylthio)benzoic acid methyl ester IUPAC Name: methyl 2-isocyanatosulfonyl-3-methylsulfanylbenzoate Traditional Name: 2-isocyanatosulfonyl-3-(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(=CC=C1)SC)S(=O)(=O)N=C=O

Isomeric SMILES

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

InChI

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