methyl 6,8-dimethoxy-5-oxidanylidene-1,2-dihydro-3-benzothiepine-2-carboxylate

Systemtic Name: methyl 6,8-dimethoxy-5-oxidanylidene-1,2-dihydro-3-benzothiepine-2-carboxylate Openeye Name: methyl 6,8-dimethoxy-5-oxo-1,2-dihydro-3-benzothiepine-2-carboxylate CAS Name: 6,8-dimethoxy-5-oxo-1,2-dihydro-3-benzothiepin-2-carboxylic acid methyl ester IUPAC Name: methyl 6,8-dimethoxy-5-oxo-1,2-dihydro-3-benzothiepine-2-carboxylate Traditional Name: 5-keto-6,8-dimethoxy-1,2-dihydro-3-benzothiepin-2-carboxylic acid methyl ester Formula: C14H16O5S MolecularWeight: 296.33884

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C2C(=C1)CC(SCC2=O)C(=O)OC)OC

Isomeric SMILES

COC1=CC(=C2C(=C1)CC(SCC2=O)C(=O)OC)OC

InChI

InChI=1S/C14H16O5S/c1-17-9-4-8-5-12(14(16)19-3)20-7-10(15)13(8)11(6-9)18-2/h4,6,12H,5,7H2,1-3H3