(1-cyanoindolizin-2-yl)methyl 2-methylsulfanylpyridine-3-carboxylate

Systemtic Name: (1-cyanoindolizin-2-yl)methyl 2-methylsulfanylpyridine-3-carboxylate Openeye Name: (1-cyanoindolizin-2-yl)methyl 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid (1-cyano-2-indolizinyl)methyl ester IUPAC Name: (1-cyanoindolizin-2-yl)methyl 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid (1-cyanoindolizin-2-yl)methyl ester Formula: C17H13N3O2S MolecularWeight: 323.36902

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC=N1)C(=O)OCC2=CN3C=CC=CC3=C2C#N

Isomeric SMILES

CSC1=C(C=CC=N1)C(=O)OCC2=CN3C=CC=CC3=C2C#N

InChI

InChI=1S/C17H13N3O2S/c1-23-16-13(5-4-7-19-16)17(21)22-11-12-10-20-8-3-2-6-15(20)14(12)9-18/h2-8,10H,11H2,1H3