2-[2-(methylamino)-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylate

Systemtic Name: 2-[2-(methylamino)-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylate Openeye Name: 2-[2-(methylamino)-2-oxo-ethyl]sulfanylpyridine-3-carboxylate CAS Name: 2-[[2-(methylamino)-2-oxoethyl]thio]-3-pyridinecarboxylate IUPAC Name: 2-[2-(methylamino)-2-oxoethyl]sulfanylpyridine-3-carboxylate Traditional Name: 2-[[2-keto-2-(methylamino)ethyl]thio]nicotinate Formula: C9H9N2O3S- MolecularWeight: 225.24436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)CSC1=C(C=CC=N1)C(=O)[O-]

Isomeric SMILES

CNC(=O)CSC1=C(C=CC=N1)C(=O)[O-]

InChI

InChI=1S/C9H10N2O3S/c1-10-7(12)5-15-8-6(9(13)14)3-2-4-11-8/h2-4H,5H2,1H3,(H,10,12)(H,13,14)/p-1