ethyl 5-cyano-2-methyl-6-[2-oxidanylidene-2-[[3-(2-oxidanylidenepyrrolidin-1-yl)phenyl]amino]ethyl]sulfanyl-pyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-2-methyl-6-[2-oxidanylidene-2-[[3-(2-oxidanylidenepyrrolidin-1-yl)phenyl]amino]ethyl]sulfanyl-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-2-methyl-6-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl]sulfanyl-pyridine-3-carboxylate CAS Name: 5-cyano-2-methyl-6-[[2-oxo-2-[3-(2-oxo-1-pyrrolidinyl)anilino]ethyl]thio]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-2-methyl-6-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl]sulfanylpyridine-3-carboxylate Traditional Name: 5-cyano-6-[[2-keto-2-[3-(2-ketopyrrolidino)anilino]ethyl]thio]-2-methyl-nicotinic acid ethyl ester Formula: C22H22N4O4S MolecularWeight: 438.49948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC(=O)NC2=CC=CC(=C2)N3CCCC3=O)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC(=O)NC2=CC=CC(=C2)N3CCCC3=O)C

InChI

InChI=1S/C22H22N4O4S/c1-3-30-22(29)18-10-15(12-23)21(24-14(18)2)31-13-19(27)25-16-6-4-7-17(11-16)26-9-5-8-20(26)28/h4,6-7,10-11H,3,5,8-9,13H2,1-2H3,(H,25,27)