methyl 7,8-dimethoxy-5-oxidanylidene-3,4-dihydro-2H-1-benzothiepine-4-carboxylate

Systemtic Name: methyl 7,8-dimethoxy-5-oxidanylidene-3,4-dihydro-2H-1-benzothiepine-4-carboxylate Openeye Name: methyl 7,8-dimethoxy-5-oxo-3,4-dihydro-2H-1-benzothiepine-4-carboxylate CAS Name: 7,8-dimethoxy-5-oxo-3,4-dihydro-2H-1-benzothiepin-4-carboxylic acid methyl ester IUPAC Name: methyl 7,8-dimethoxy-5-oxo-3,4-dihydro-2H-1-benzothiepine-4-carboxylate Traditional Name: 5-keto-7,8-dimethoxy-3,4-dihydro-2H-1-benzothiepin-4-carboxylic acid methyl ester Formula: C14H16O5S MolecularWeight: 296.33884

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)C(CCS2)C(=O)OC)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)C(CCS2)C(=O)OC)OC

InChI

InChI=1S/C14H16O5S/c1-17-10-6-9-12(7-11(10)18-2)20-5-4-8(13(9)15)14(16)19-3/h6-8H,4-5H2,1-3H3