2-(1,3-benzothiazol-2-ylsulfanyl)pyridine-4-carboxylate

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)pyridine-4-carboxylate Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)pyridine-4-carboxylate CAS Name: 2-(1,3-benzothiazol-2-ylthio)-4-pyridinecarboxylate IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)pyridine-4-carboxylate Traditional Name: 2-(1,3-benzothiazol-2-ylthio)isonicotinate Formula: C13H7N2O2S2- MolecularWeight: 287.33688

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SC3=NC=CC(=C3)C(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SC3=NC=CC(=C3)C(=O)[O-]

InChI

InChI=1S/C13H8N2O2S2/c16-12(17)8-5-6-14-11(7-8)19-13-15-9-3-1-2-4-10(9)18-13/h1-7H,(H,16,17)/p-1