ethyl 2-[[(3S)-3,5-dicyano-4,4-dimethyl-2-oxidanylidene-1,3-dihydropyridin-6-yl]sulfanyl]ethanoate

Systemtic Name: ethyl 2-[[(3S)-3,5-dicyano-4,4-dimethyl-2-oxidanylidene-1,3-dihydropyridin-6-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[[(3S)-3,5-dicyano-4,4-dimethyl-2-oxo-1,3-dihydropyridin-6-yl]sulfanyl]acetate CAS Name: 2-[[(3S)-3,5-dicyano-4,4-dimethyl-2-oxo-1,3-dihydropyridin-6-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[(3S)-3,5-dicyano-4,4-dimethyl-2-oxo-1,3-dihydropyridin-6-yl]sulfanyl]acetate Traditional Name: 2-[[(3S)-3,5-dicyano-2-keto-4,4-dimethyl-1,3-dihydropyridin-6-yl]thio]acetic acid ethyl ester Formula: C13H15N3O3S MolecularWeight: 293.3415

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=C(C(C(C(=O)N1)C#N)(C)C)C#N

Isomeric SMILES

CCOC(=O)CSC1=C(C([C@H](C(=O)N1)C#N)(C)C)C#N

InChI

InChI=1S/C13H15N3O3S/c1-4-19-10(17)7-20-12-9(6-15)13(2,3)8(5-14)11(18)16-12/h8H,4,7H2,1-3H3,(H,16,18)/t8-/m0/s1