6-(1,3-benzothiazol-2-ylsulfanyl)-5-chloranyl-pyridine-3-carboxylate

Systemtic Name: 6-(1,3-benzothiazol-2-ylsulfanyl)-5-chloranyl-pyridine-3-carboxylate Openeye Name: 6-(1,3-benzothiazol-2-ylsulfanyl)-5-chloro-pyridine-3-carboxylate CAS Name: 6-(1,3-benzothiazol-2-ylthio)-5-chloro-3-pyridinecarboxylate IUPAC Name: 6-(1,3-benzothiazol-2-ylsulfanyl)-5-chloropyridine-3-carboxylate Traditional Name: 6-(1,3-benzothiazol-2-ylthio)-5-chloro-nicotinate Formula: C13H6ClN2O2S2- MolecularWeight: 321.78194

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SC3=C(C=C(C=N3)C(=O)[O-])Cl

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SC3=C(C=C(C=N3)C(=O)[O-])Cl

InChI

InChI=1S/C13H7ClN2O2S2/c14-8-5-7(12(17)18)6-15-11(8)20-13-16-9-3-1-2-4-10(9)19-13/h1-6H,(H,17,18)/p-1