(3S,8aS)-7,8-dimethoxy-1-oxidanylidene-3,8a-dihydroisothiochromene-3-carboxylate

Systemtic Name: (3S,8aS)-7,8-dimethoxy-1-oxidanylidene-3,8a-dihydroisothiochromene-3-carboxylate Openeye Name: (3S,8aS)-7,8-dimethoxy-1-oxo-3,8a-dihydroisothiochromene-3-carboxylate CAS Name: (3S,8aS)-7,8-dimethoxy-1-oxo-3,8a-dihydro-2-benzothiopyran-3-carboxylate IUPAC Name: (3S,8aS)-7,8-dimethoxy-1-oxo-3,8a-dihydroisothiochromene-3-carboxylate Traditional Name: (3S,8aS)-1-keto-7,8-dimethoxy-3,8a-dihydroisothiochromene-3-carboxylate Formula: C12H11O5S- MolecularWeight: 267.27774

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2C(=CC(SC2=O)C(=O)[O-])C=C1)OC

Isomeric SMILES

COC1=C([C@@H]2C(=C[C@H](SC2=O)C(=O)[O-])C=C1)OC

InChI

InChI=1S/C12H12O5S/c1-16-7-4-3-6-5-8(11(13)14)18-12(15)9(6)10(7)17-2/h3-5,8-9H,1-2H3,(H,13,14)/p-1/t8-,9-/m0/s1