8-chloranyl-6-ethyl-benzo[b][1,4]benzothiazepine-3-carboxylic acid

Systemtic Name: 8-chloranyl-6-ethyl-benzo[b][1,4]benzothiazepine-3-carboxylic acid Openeye Name: 8-chloro-6-ethyl-benzo[b][1,4]benzothiazepine-3-carboxylic acid CAS Name: 8-chloro-6-ethyl-3-benzo[b][1,4]benzothiazepinecarboxylic acid IUPAC Name: 8-chloro-6-ethylbenzo[b][1,4]benzothiazepine-3-carboxylic acid Traditional Name: 8-chloro-6-ethyl-benzo[b][1,4]benzothiazepine-3-carboxylic acid Formula: C16H12ClNO2S MolecularWeight: 317.78998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C=CC(=C2)C(=O)O)SC3=C1C=C(C=C3)Cl

Isomeric SMILES

CCC1=NC2=C(C=CC(=C2)C(=O)O)SC3=C1C=C(C=C3)Cl

InChI

InChI=1S/C16H12ClNO2S/c1-2-12-11-8-10(17)4-6-14(11)21-15-5-3-9(16(19)20)7-13(15)18-12/h3-8H,2H2,1H3,(H,19,20)