2-(4-chloranyl-2-oxidanylidene-1,3-benzothiazol-3-yl)ethanoic acid

Systemtic Name: 2-(4-chloranyl-2-oxidanylidene-1,3-benzothiazol-3-yl)ethanoic acid Openeye Name: 2-(4-chloro-2-oxo-1,3-benzothiazol-3-yl)acetic acid CAS Name: 2-(4-chloro-2-oxo-1,3-benzothiazol-3-yl)acetic acid IUPAC Name: 2-(4-chloro-2-oxo-1,3-benzothiazol-3-yl)acetic acid Traditional Name: 2-(4-chloro-2-keto-1,3-benzothiazol-3-yl)acetic acid Formula: C9H6ClNO3S MolecularWeight: 243.66684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)Cl)N(C(=O)S2)CC(=O)O

Isomeric SMILES

C1=CC2=C(C(=C1)Cl)N(C(=O)S2)CC(=O)O

InChI

InChI=1S/C9H6ClNO3S/c10-5-2-1-3-6-8(5)11(4-7(12)13)9(14)15-6/h1-3H,4H2,(H,12,13)