methyl 5,8-dimethoxy-3,4-dihydro-1H-isothiochromene-3-carboxylate

Systemtic Name: methyl 5,8-dimethoxy-3,4-dihydro-1H-isothiochromene-3-carboxylate Openeye Name: methyl 5,8-dimethoxyisothiochromane-3-carboxylate CAS Name: 5,8-dimethoxy-3,4-dihydro-1H-2-benzothiopyran-3-carboxylic acid methyl ester IUPAC Name: methyl 5,8-dimethoxy-3,4-dihydro-1H-isothiochromene-3-carboxylate Traditional Name: 5,8-dimethoxyisothiochroman-3-carboxylic acid methyl ester Formula: C13H16O4S MolecularWeight: 268.32874

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2CC(SCC2=C(C=C1)OC)C(=O)OC

Isomeric SMILES

COC1=C2CC(SCC2=C(C=C1)OC)C(=O)OC

InChI

InChI=1S/C13H16O4S/c1-15-10-4-5-11(16-2)9-7-18-12(6-8(9)10)13(14)17-3/h4-5,12H,6-7H2,1-3H3