7,8-dimethoxy-5-oxidanylidene-1,2-dihydro-3-benzothiepine-2-carboxylic acid

Systemtic Name: 7,8-dimethoxy-5-oxidanylidene-1,2-dihydro-3-benzothiepine-2-carboxylic acid Openeye Name: 7,8-dimethoxy-5-oxo-1,2-dihydro-3-benzothiepine-2-carboxylic acid CAS Name: 7,8-dimethoxy-5-oxo-1,2-dihydro-3-benzothiepin-2-carboxylic acid IUPAC Name: 7,8-dimethoxy-5-oxo-1,2-dihydro-3-benzothiepine-2-carboxylic acid Traditional Name: 5-keto-7,8-dimethoxy-1,2-dihydro-3-benzothiepin-2-carboxylic acid Formula: C13H14O5S MolecularWeight: 282.31226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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