[(3S)-1,1-bis(oxidanylidene)-2,3-dihydro-1,2-benzothiazol-3-yl] 2-methylbenzenesulfonate

Systemtic Name: [(3S)-1,1-bis(oxidanylidene)-2,3-dihydro-1,2-benzothiazol-3-yl] 2-methylbenzenesulfonate Openeye Name: [(3S)-1,1-dioxo-2,3-dihydro-1,2-benzothiazol-3-yl] 2-methylbenzenesulfonate CAS Name: 2-methylbenzenesulfonic acid [(3S)-1,1-dioxo-2,3-dihydro-1,2-benzothiazol-3-yl] ester IUPAC Name: [(3S)-1,1-dioxo-2,3-dihydro-1,2-benzothiazol-3-yl] 2-methylbenzenesulfonate Traditional Name: 2-methylbenzenesulfonic acid [(3S)-1,1-diketo-2,3-dihydro-1,2-benzothiazol-3-yl] ester Formula: C14H13NO5S2 MolecularWeight: 339.38672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1S(=O)(=O)OC2C3=CC=CC=C3S(=O)(=O)N2

Isomeric SMILES

CC1=CC=CC=C1S(=O)(=O)O[C@H]2C3=CC=CC=C3S(=O)(=O)N2

InChI

InChI=1S/C14H13NO5S2/c1-10-6-2-4-8-12(10)22(18,19)20-14-11-7-3-5-9-13(11)21(16,17)15-14/h2-9,14-15H,1H3/t14-/m0/s1