[(1R)-1-cyanoethyl] 2-phenylsulfanylpyridine-3-carboxylate

Systemtic Name: [(1R)-1-cyanoethyl] 2-phenylsulfanylpyridine-3-carboxylate Openeye Name: [(1R)-1-cyanoethyl] 2-phenylsulfanylpyridine-3-carboxylate CAS Name: 2-(phenylthio)-3-pyridinecarboxylic acid [(1R)-1-cyanoethyl] ester IUPAC Name: [(1R)-1-cyanoethyl] 2-phenylsulfanylpyridine-3-carboxylate Traditional Name: 2-(phenylthio)nicotinic acid [(1R)-1-cyanoethyl] ester Formula: C15H12N2O2S MolecularWeight: 284.33298

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)OC(=O)C1=C(N=CC=C1)SC2=CC=CC=C2

Isomeric SMILES

C[C@H](C#N)OC(=O)C1=C(N=CC=C1)SC2=CC=CC=C2

InChI

InChI=1S/C15H12N2O2S/c1-11(10-16)19-15(18)13-8-5-9-17-14(13)20-12-6-3-2-4-7-12/h2-9,11H,1H3/t11-/m1/s1