3-sulfanyl-5,6-dihydrobenzo[b][1]benzothiepine-9-carboxylic acid

Systemtic Name: 3-sulfanyl-5,6-dihydrobenzo[b][1]benzothiepine-9-carboxylic acid Openeye Name: 3-sulfanyl-5,6-dihydrobenzo[b][1]benzothiepine-9-carboxylic acid CAS Name: 3-mercapto-5,6-dihydrobenzo[b][1]benzothiepin-9-carboxylic acid IUPAC Name: 3-sulfanyl-5,6-dihydrobenzo[b][1]benzothiepine-9-carboxylic acid Traditional Name: 3-mercapto-5,6-dihydrobenzo[b][1]benzothiepin-9-carboxylic acid Formula: C15H12O2S2 MolecularWeight: 288.38458

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC(=C2)S)SC3=C1C=CC(=C3)C(=O)O

Isomeric SMILES

C1CC2=C(C=CC(=C2)S)SC3=C1C=CC(=C3)C(=O)O

InChI

InChI=1S/C15H12O2S2/c16-15(17)11-4-2-9-1-3-10-7-12(18)5-6-13(10)19-14(9)8-11/h2,4-8,18H,1,3H2,(H,16,17)