ethyl 5-cyano-2-methyl-6-[3-oxidanylidene-3-[[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]amino]propyl]sulfanyl-pyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-2-methyl-6-[3-oxidanylidene-3-[[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]amino]propyl]sulfanyl-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-2-methyl-6-[3-oxo-3-[4-(2-oxopyrrolidin-1-yl)anilino]propyl]sulfanyl-pyridine-3-carboxylate CAS Name: 5-cyano-2-methyl-6-[[3-oxo-3-[4-(2-oxo-1-pyrrolidinyl)anilino]propyl]thio]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-2-methyl-6-[3-oxo-3-[4-(2-oxopyrrolidin-1-yl)anilino]propyl]sulfanylpyridine-3-carboxylate Traditional Name: 5-cyano-6-[[3-keto-3-[4-(2-ketopyrrolidino)anilino]propyl]thio]-2-methyl-nicotinic acid ethyl ester Formula: C23H24N4O4S MolecularWeight: 452.52606

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24N4O4S/c1-3-31-23(30)19-13-16(14-24)22(25-15(19)2)32-12-10-20(28)26-17-6-8-18(9-7-17)27-11-4-5-21(27)29/h6-9,13H,3-5,10-12H2,1-2H3,(H,26,28)