3-(6-chloranyl-2-sulfanylidene-1,3-benzothiazol-3-yl)propanoic acid

Systemtic Name: 3-(6-chloranyl-2-sulfanylidene-1,3-benzothiazol-3-yl)propanoic acid Openeye Name: 3-(6-chloro-2-thioxo-1,3-benzothiazol-3-yl)propanoic acid CAS Name: 3-(6-chloro-2-sulfanylidene-1,3-benzothiazol-3-yl)propanoic acid IUPAC Name: 3-(6-chloro-2-sulfanylidene-1,3-benzothiazol-3-yl)propanoic acid Traditional Name: 3-(6-chloro-2-thioxo-1,3-benzothiazol-3-yl)propionic acid Formula: C10H8ClNO2S2 MolecularWeight: 273.75902

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Cl)SC(=S)N2CCC(=O)O

Isomeric SMILES

C1=CC2=C(C=C1Cl)SC(=S)N2CCC(=O)O

InChI

InChI=1S/C10H8ClNO2S2/c11-6-1-2-7-8(5-6)16-10(15)12(7)4-3-9(13)14/h1-2,5H,3-4H2,(H,13,14)