oxetan-2-yl 2-isocyanatosulfonyl-3-methylsulfanyl-benzoate

Systemtic Name: oxetan-2-yl 2-isocyanatosulfonyl-3-methylsulfanyl-benzoate Openeye Name: oxetan-2-yl 2-isocyanatosulfonyl-3-methylsulfanyl-benzoate CAS Name: 2-isocyanatosulfonyl-3-(methylthio)benzoic acid 2-oxetanyl ester IUPAC Name: oxetan-2-yl 2-isocyanatosulfonyl-3-methylsulfanylbenzoate Traditional Name: 2-isocyanatosulfonyl-3-(methylthio)benzoic acid oxetan-2-yl ester Formula: C12H11NO6S2 MolecularWeight: 329.34884

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1S(=O)(=O)N=C=O)C(=O)OC2CCO2

Isomeric SMILES

CSC1=CC=CC(=C1S(=O)(=O)N=C=O)C(=O)OC2CCO2

InChI

InChI=1S/C12H11NO6S2/c1-20-9-4-2-3-8(11(9)21(16,17)13-7-14)12(15)19-10-5-6-18-10/h2-4,10H,5-6H2,1H3