ethyl 5-cyano-2-methyl-6-[(3S)-2-oxidanylideneoxolan-3-yl]sulfanyl-pyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-2-methyl-6-[(3S)-2-oxidanylideneoxolan-3-yl]sulfanyl-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-2-methyl-6-[(3S)-2-oxotetrahydrofuran-3-yl]sulfanyl-pyridine-3-carboxylate CAS Name: 5-cyano-2-methyl-6-[[(3S)-2-oxo-3-oxolanyl]thio]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-2-methyl-6-[(3S)-2-oxooxolan-3-yl]sulfanylpyridine-3-carboxylate Traditional Name: 5-cyano-6-[[(3S)-2-ketotetrahydrofuran-3-yl]thio]-2-methyl-nicotinic acid ethyl ester Formula: C14H14N2O4S MolecularWeight: 306.33696

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C#N)SC2CCOC2=O)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)S[C@H]2CCOC2=O)C

InChI

InChI=1S/C14H14N2O4S/c1-3-19-13(17)10-6-9(7-15)12(16-8(10)2)21-11-4-5-20-14(11)18/h6,11H,3-5H2,1-2H3/t11-/m0/s1