2-butyl-4-chloranyl-7-methoxy-1,3-benzothiazole-6-carboxylic acid

Systemtic Name: 2-butyl-4-chloranyl-7-methoxy-1,3-benzothiazole-6-carboxylic acid Openeye Name: 2-butyl-4-chloro-7-methoxy-1,3-benzothiazole-6-carboxylic acid CAS Name: 2-butyl-4-chloro-7-methoxy-1,3-benzothiazole-6-carboxylic acid IUPAC Name: 2-butyl-4-chloro-7-methoxy-1,3-benzothiazole-6-carboxylic acid Traditional Name: 2-butyl-4-chloro-7-methoxy-1,3-benzothiazole-6-carboxylic acid Formula: C13H14ClNO3S MolecularWeight: 299.77316

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(C=C(C(=C2S1)OC)C(=O)O)Cl

Isomeric SMILES

CCCCC1=NC2=C(C=C(C(=C2S1)OC)C(=O)O)Cl

InChI

InChI=1S/C13H14ClNO3S/c1-3-4-5-9-15-10-8(14)6-7(13(16)17)11(18-2)12(10)19-9/h6H,3-5H2,1-2H3,(H,16,17)