[2-[(5-chloranylpyridin-2-yl)amino]-2-oxidanylidene-ethyl] 2-methylsulfanylpyridine-3-carboxylate

Systemtic Name: [2-[(5-chloranylpyridin-2-yl)amino]-2-oxidanylidene-ethyl] 2-methylsulfanylpyridine-3-carboxylate Openeye Name: [2-[(5-chloro-2-pyridyl)amino]-2-oxo-ethyl] 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(5-chloropyridin-2-yl)amino]-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid [2-[(5-chloro-2-pyridyl)amino]-2-keto-ethyl] ester Formula: C14H12ClN3O3S MolecularWeight: 337.78138

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC=N1)C(=O)OCC(=O)NC2=NC=C(C=C2)Cl

Isomeric SMILES

CSC1=C(C=CC=N1)C(=O)OCC(=O)NC2=NC=C(C=C2)Cl

InChI

InChI=1S/C14H12ClN3O3S/c1-22-13-10(3-2-6-16-13)14(20)21-8-12(19)18-11-5-4-9(15)7-17-11/h2-7H,8H2,1H3,(H,17,18,19)