5-chloranyl-1,3-benzothiazole-4-carboxylic acid

Systemtic Name: 5-chloranyl-1,3-benzothiazole-4-carboxylic acid Openeye Name: 5-chloro-1,3-benzothiazole-4-carboxylic acid CAS Name: 5-chloro-1,3-benzothiazole-4-carboxylic acid IUPAC Name: 5-chloro-1,3-benzothiazole-4-carboxylic acid Traditional Name: 5-chloro-1,3-benzothiazole-4-carboxylic acid Formula: C8H4ClNO2S MolecularWeight: 213.64086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C2=C1SC=N2)C(=O)O)Cl

Isomeric SMILES

C1=CC(=C(C2=C1SC=N2)C(=O)O)Cl

InChI

InChI=1S/C8H4ClNO2S/c9-4-1-2-5-7(10-3-13-5)6(4)8(11)12/h1-3H,(H,11,12)