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

Systemtic Name: methyl 8-methoxy-6-oxidanyl-5-oxidanylidene-1,2-dihydro-3-benzothiepine-2-carboxylate Openeye Name: methyl 6-hydroxy-8-methoxy-5-oxo-1,2-dihydro-3-benzothiepine-2-carboxylate CAS Name: 6-hydroxy-8-methoxy-5-oxo-1,2-dihydro-3-benzothiepin-2-carboxylic acid methyl ester IUPAC Name: methyl 6-hydroxy-8-methoxy-5-oxo-1,2-dihydro-3-benzothiepine-2-carboxylate Traditional Name: 6-hydroxy-5-keto-8-methoxy-1,2-dihydro-3-benzothiepin-2-carboxylic acid methyl ester Formula: C13H14O5S MolecularWeight: 282.31226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14O5S/c1-17-8-3-7-4-11(13(16)18-2)19-6-10(15)12(7)9(14)5-8/h3,5,11,14H,4,6H2,1-2H3