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

Systemtic Name: 7-chloranyl-5-oxidanylidene-1,2-dihydro-3-benzothiepine-2-carboxylic acid Openeye Name: 7-chloro-5-oxo-1,2-dihydro-3-benzothiepine-2-carboxylic acid CAS Name: 7-chloro-5-oxo-1,2-dihydro-3-benzothiepin-2-carboxylic acid IUPAC Name: 7-chloro-5-oxo-1,2-dihydro-3-benzothiepine-2-carboxylic acid Traditional Name: 7-chloro-5-keto-1,2-dihydro-3-benzothiepin-2-carboxylic acid Formula: C11H9ClO3S MolecularWeight: 256.70536

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H9ClO3S/c12-7-2-1-6-3-10(11(14)15)16-5-9(13)8(6)4-7/h1-2,4,10H,3,5H2,(H,14,15)