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

Systemtic Name: 5-oxidanylidene-1,2-dihydro-3-benzothiepine-2-carboxylic acid Openeye Name: 5-oxo-1,2-dihydro-3-benzothiepine-2-carboxylic acid CAS Name: 5-oxo-1,2-dihydro-3-benzothiepin-2-carboxylic acid IUPAC Name: 5-oxo-1,2-dihydro-3-benzothiepine-2-carboxylic acid Traditional Name: 5-keto-1,2-dihydro-3-benzothiepin-2-carboxylic acid Formula: C11H10O3S MolecularWeight: 222.2603

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Descriptors Computed from Structure

Canonical SMILES:

C1C(SCC(=O)C2=CC=CC=C21)C(=O)O

Isomeric SMILES

C1C(SCC(=O)C2=CC=CC=C21)C(=O)O

InChI

InChI=1S/C11H10O3S/c12-9-6-15-10(11(13)14)5-7-3-1-2-4-8(7)9/h1-4,10H,5-6H2,(H,13,14)