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

Systemtic Name: 7,8-dimethyl-5-oxidanylidene-1,2-dihydro-3-benzothiepine-2-carboxylic acid Openeye Name: 7,8-dimethyl-5-oxo-1,2-dihydro-3-benzothiepine-2-carboxylic acid CAS Name: 7,8-dimethyl-5-oxo-1,2-dihydro-3-benzothiepin-2-carboxylic acid IUPAC Name: 7,8-dimethyl-5-oxo-1,2-dihydro-3-benzothiepine-2-carboxylic acid Traditional Name: 5-keto-7,8-dimethyl-1,2-dihydro-3-benzothiepin-2-carboxylic acid Formula: C13H14O3S MolecularWeight: 250.31346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)CC(SCC2=O)C(=O)O)C

Isomeric SMILES

CC1=C(C=C2C(=C1)CC(SCC2=O)C(=O)O)C

InChI

InChI=1S/C13H14O3S/c1-7-3-9-5-12(13(15)16)17-6-11(14)10(9)4-8(7)2/h3-4,12H,5-6H2,1-2H3,(H,15,16)