2-(1,3-benzothiazol-2-ylsulfanyl)-6-chloranyl-pyridine-4-carboxylic acid

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-6-chloranyl-pyridine-4-carboxylic acid Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-6-chloro-pyridine-4-carboxylic acid CAS Name: 2-(1,3-benzothiazol-2-ylthio)-6-chloro-4-pyridinecarboxylic acid IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-6-chloropyridine-4-carboxylic acid Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-6-chloro-isonicotinic acid Formula: C13H7ClN2O2S2 MolecularWeight: 322.78988

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SC3=NC(=CC(=C3)C(=O)O)Cl

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SC3=NC(=CC(=C3)C(=O)O)Cl

InChI

InChI=1S/C13H7ClN2O2S2/c14-10-5-7(12(17)18)6-11(16-10)20-13-15-8-3-1-2-4-9(8)19-13/h1-6H,(H,17,18)