3-[2-(5-chloranyl-2-oxidanylidene-3H-1,3-benzothiazol-6-yl)-2-oxidanylidene-ethyl]sulfanylpropanoic acid

Systemtic Name: 3-[2-(5-chloranyl-2-oxidanylidene-3H-1,3-benzothiazol-6-yl)-2-oxidanylidene-ethyl]sulfanylpropanoic acid Openeye Name: 3-[2-(5-chloro-2-oxo-3H-1,3-benzothiazol-6-yl)-2-oxo-ethyl]sulfanylpropanoic acid CAS Name: 3-[[2-(5-chloro-2-oxo-3H-1,3-benzothiazol-6-yl)-2-oxoethyl]thio]propanoic acid IUPAC Name: 3-[2-(5-chloro-2-oxo-3H-1,3-benzothiazol-6-yl)-2-oxoethyl]sulfanylpropanoic acid Traditional Name: 3-[[2-(5-chloro-2-keto-3H-1,3-benzothiazol-6-yl)-2-keto-ethyl]thio]propionic acid Formula: C12H10ClNO4S2 MolecularWeight: 331.7951

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=CC2=C1SC(=O)N2)Cl)C(=O)CSCCC(=O)O

Isomeric SMILES

C1=C(C(=CC2=C1SC(=O)N2)Cl)C(=O)CSCCC(=O)O

InChI

InChI=1S/C12H10ClNO4S2/c13-7-4-8-10(20-12(18)14-8)3-6(7)9(15)5-19-2-1-11(16)17/h3-4H,1-2,5H2,(H,14,18)(H,16,17)