7-chloranyl-5-methyl-3,4-dihydro-2H-1,5-benzothiazepine-9-carboxylic acid

Systemtic Name: 7-chloranyl-5-methyl-3,4-dihydro-2H-1,5-benzothiazepine-9-carboxylic acid Openeye Name: 7-chloro-5-methyl-3,4-dihydro-2H-1,5-benzothiazepine-9-carboxylic acid CAS Name: 7-chloro-5-methyl-3,4-dihydro-2H-1,5-benzothiazepine-9-carboxylic acid IUPAC Name: 7-chloro-5-methyl-3,4-dihydro-2H-1,5-benzothiazepine-9-carboxylic acid Traditional Name: 7-chloro-5-methyl-3,4-dihydro-2H-1,5-benzothiazepine-9-carboxylic acid Formula: C11H12ClNO2S MolecularWeight: 257.73648

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCCSC2=C1C=C(C=C2C(=O)O)Cl

Isomeric SMILES

CN1CCCSC2=C1C=C(C=C2C(=O)O)Cl

InChI

InChI=1S/C11H12ClNO2S/c1-13-3-2-4-16-10-8(11(14)15)5-7(12)6-9(10)13/h5-6H,2-4H2,1H3,(H,14,15)