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

Systemtic Name: 7-methyl-5-oxidanylidene-1,2-dihydro-3-benzothiepine-2-carboxylic acid Openeye Name: 7-methyl-5-oxo-1,2-dihydro-3-benzothiepine-2-carboxylic acid CAS Name: 7-methyl-5-oxo-1,2-dihydro-3-benzothiepin-2-carboxylic acid IUPAC Name: 7-methyl-5-oxo-1,2-dihydro-3-benzothiepine-2-carboxylic acid Traditional Name: 5-keto-7-methyl-1,2-dihydro-3-benzothiepin-2-carboxylic acid Formula: C12H12O3S MolecularWeight: 236.28688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(CC(SCC2=O)C(=O)O)C=C1

Isomeric SMILES

CC1=CC2=C(CC(SCC2=O)C(=O)O)C=C1

InChI

InChI=1S/C12H12O3S/c1-7-2-3-8-5-11(12(14)15)16-6-10(13)9(8)4-7/h2-4,11H,5-6H2,1H3,(H,14,15)