benzo[b][1,4]benzothiazepine-9-carboxylic acid

Systemtic Name: benzo[b][1,4]benzothiazepine-9-carboxylic acid Openeye Name: benzo[b][1,4]benzothiazepine-9-carboxylic acid CAS Name: 9-benzo[b][1,4]benzothiazepinecarboxylic acid IUPAC Name: benzo[b][1,4]benzothiazepine-9-carboxylic acid Traditional Name: benzo[b][1,4]benzothiazepine-9-carboxylic acid Formula: C14H9NO2S MolecularWeight: 255.29176

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=CC3=C(S2)C=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=CC3=C(S2)C=C(C=C3)C(=O)O

InChI

InChI=1S/C14H9NO2S/c16-14(17)9-5-6-10-8-15-11-3-1-2-4-12(11)18-13(10)7-9/h1-8H,(H,16,17)