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

Systemtic Name: 3-(4-chloranyl-2-oxidanylidene-1,3-benzothiazol-3-yl)propanoic acid Openeye Name: 3-(4-chloro-2-oxo-1,3-benzothiazol-3-yl)propanoic acid CAS Name: 3-(4-chloro-2-oxo-1,3-benzothiazol-3-yl)propanoic acid IUPAC Name: 3-(4-chloro-2-oxo-1,3-benzothiazol-3-yl)propanoic acid Traditional Name: 3-(4-chloro-2-keto-1,3-benzothiazol-3-yl)propionic acid Formula: C10H8ClNO3S MolecularWeight: 257.69342

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H8ClNO3S/c11-6-2-1-3-7-9(6)12(10(15)16-7)5-4-8(13)14/h1-3H,4-5H2,(H,13,14)