3-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]-2-oxidanylidene-propanoic acid

Systemtic Name: 3-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]-2-oxidanylidene-propanoic acid Openeye Name: 3-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-2-oxo-propanoic acid CAS Name: 3-[(5-chloro-1,3-benzothiazol-2-yl)thio]-2-oxopropanoic acid IUPAC Name: 3-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-2-oxopropanoic acid Traditional Name: 3-[(5-chloro-1,3-benzothiazol-2-yl)thio]-2-keto-propionic acid Formula: C10H6ClNO3S2 MolecularWeight: 287.74254

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Cl)N=C(S2)SCC(=O)C(=O)O

Isomeric SMILES

C1=CC2=C(C=C1Cl)N=C(S2)SCC(=O)C(=O)O

InChI

InChI=1S/C10H6ClNO3S2/c11-5-1-2-8-6(3-5)12-10(17-8)16-4-7(13)9(14)15/h1-3H,4H2,(H,14,15)