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

Systemtic Name: ethyl 2-[(6-azanyl-3,5-dicyano-4-ethyl-1,4-dihydropyridin-2-yl)sulfanyl]ethanoate Openeye Name: ethyl 2-[(6-amino-3,5-dicyano-4-ethyl-1,4-dihydropyridin-2-yl)sulfanyl]acetate CAS Name: 2-[(6-amino-3,5-dicyano-4-ethyl-1,4-dihydropyridin-2-yl)thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[(6-amino-3,5-dicyano-4-ethyl-1,4-dihydropyridin-2-yl)sulfanyl]acetate Traditional Name: 2-[(6-amino-3,5-dicyano-4-ethyl-1,4-dihydropyridin-2-yl)thio]acetic acid ethyl ester Formula: C13H16N4O2S MolecularWeight: 292.35674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=C(NC(=C1C#N)SCC(=O)OCC)N)C#N

Isomeric SMILES

CCC1C(=C(NC(=C1C#N)SCC(=O)OCC)N)C#N

InChI

InChI=1S/C13H16N4O2S/c1-3-8-9(5-14)12(16)17-13(10(8)6-15)20-7-11(18)19-4-2/h8,17H,3-4,7,16H2,1-2H3