[(3aR,5R,6aS)-3a-(hydroxymethyl)-1,1-bis(oxidanylidene)-3,5,6,6a-tetrahydro-2H-furo[2,3-d][1,2]thiazol-5-yl]methyl 4-methylbenzenesulfonate

Systemtic Name: [(3aR,5R,6aS)-3a-(hydroxymethyl)-1,1-bis(oxidanylidene)-3,5,6,6a-tetrahydro-2H-furo[2,3-d][1,2]thiazol-5-yl]methyl 4-methylbenzenesulfonate Openeye Name: [(3aR,5R,6aS)-3a-(hydroxymethyl)-1,1-dioxo-3,5,6,6a-tetrahydro-2H-furo[2,3-d]isothiazol-5-yl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(3aR,5R,6aS)-3a-(hydroxymethyl)-1,1-dioxo-3,5,6,6a-tetrahydro-2H-furo[2,3-d]isothiazol-5-yl]methyl ester IUPAC Name: [(3aR,5R,6aS)-3a-(hydroxymethyl)-1,1-dioxo-3,5,6,6a-tetrahydro-2H-furo[2,3-d][1,2]thiazol-5-yl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(3aR,5R,6aS)-1,1-diketo-3a-methylol-3,5,6,6a-tetrahydro-2H-fur[2,3-d]isothiazol-5-yl]methyl ester Formula: C14H19NO7S2 MolecularWeight: 377.43316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2CC3C(O2)(CNS3(=O)=O)CO

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC[C@H]2C[C@H]3[C@@](O2)(CNS3(=O)=O)CO

InChI

InChI=1S/C14H19NO7S2/c1-10-2-4-12(5-3-10)24(19,20)21-7-11-6-13-14(9-16,22-11)8-15-23(13,17)18/h2-5,11,13,15-16H,6-9H2,1H3/t11-,13+,14-/m1/s1