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

Systemtic Name: 8-methylsulfanyl-5-oxidanylidene-1,2-dihydro-3-benzothiepine-2-carboxylic acid Openeye Name: 8-methylsulfanyl-5-oxo-1,2-dihydro-3-benzothiepine-2-carboxylic acid CAS Name: 8-(methylthio)-5-oxo-1,2-dihydro-3-benzothiepin-2-carboxylic acid IUPAC Name: 8-methylsulfanyl-5-oxo-1,2-dihydro-3-benzothiepine-2-carboxylic acid Traditional Name: 5-keto-8-(methylthio)-1,2-dihydro-3-benzothiepin-2-carboxylic acid Formula: C12H12O3S2 MolecularWeight: 268.35188

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=C(C=C1)C(=O)CSC(C2)C(=O)O

Isomeric SMILES

CSC1=CC2=C(C=C1)C(=O)CSC(C2)C(=O)O

InChI

InChI=1S/C12H12O3S2/c1-16-8-2-3-9-7(4-8)5-11(12(14)15)17-6-10(9)13/h2-4,11H,5-6H2,1H3,(H,14,15)