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

Systemtic Name: 8-chloranyl-6-methyl-benzo[b][1,4]benzothiazepine-3-carboxylic acid Openeye Name: 8-chloro-6-methyl-benzo[b][1,4]benzothiazepine-3-carboxylic acid CAS Name: 8-chloro-6-methyl-3-benzo[b][1,4]benzothiazepinecarboxylic acid IUPAC Name: 8-chloro-6-methylbenzo[b][1,4]benzothiazepine-3-carboxylic acid Traditional Name: 8-chloro-6-methyl-benzo[b][1,4]benzothiazepine-3-carboxylic acid Formula: C15H10ClNO2S MolecularWeight: 303.7634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC(=C2)C(=O)O)SC3=C1C=C(C=C3)Cl

Isomeric SMILES

CC1=NC2=C(C=CC(=C2)C(=O)O)SC3=C1C=C(C=C3)Cl

InChI

InChI=1S/C15H10ClNO2S/c1-8-11-7-10(16)3-5-13(11)20-14-4-2-9(15(18)19)6-12(14)17-8/h2-7H,1H3,(H,18,19)