2-[(3-methylsulfanylphenyl)amino]pyridine-3-carboxylate

Systemtic Name: 2-[(3-methylsulfanylphenyl)amino]pyridine-3-carboxylate Openeye Name: 2-(3-methylsulfanylanilino)pyridine-3-carboxylate CAS Name: 2-[3-(methylthio)anilino]-3-pyridinecarboxylate IUPAC Name: 2-(3-methylsulfanylanilino)pyridine-3-carboxylate Traditional Name: 2-[3-(methylthio)anilino]nicotinate Formula: C13H11N2O2S- MolecularWeight: 259.30364

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC2=C(C=CC=N2)C(=O)[O-]

Isomeric SMILES

CSC1=CC=CC(=C1)NC2=C(C=CC=N2)C(=O)[O-]

InChI

InChI=1S/C13H12N2O2S/c1-18-10-5-2-4-9(8-10)15-12-11(13(16)17)6-3-7-14-12/h2-8H,1H3,(H,14,15)(H,16,17)/p-1