ethyl 5-cyano-2-methyl-6-[3-[(4-morpholin-4-ylphenyl)amino]-3-oxidanylidene-propyl]sulfanyl-pyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-2-methyl-6-[3-[(4-morpholin-4-ylphenyl)amino]-3-oxidanylidene-propyl]sulfanyl-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-2-methyl-6-[3-(4-morpholinoanilino)-3-oxo-propyl]sulfanyl-pyridine-3-carboxylate CAS Name: 5-cyano-2-methyl-6-[[3-[4-(4-morpholinyl)anilino]-3-oxopropyl]thio]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-2-methyl-6-[3-(4-morpholin-4-ylanilino)-3-oxopropyl]sulfanylpyridine-3-carboxylate Traditional Name: 5-cyano-6-[[3-keto-3-(4-morpholinoanilino)propyl]thio]-2-methyl-nicotinic acid ethyl ester Formula: C23H26N4O4S MolecularWeight: 454.54194

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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)N3CCOCC3)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCCC(=O)NC2=CC=C(C=C2)N3CCOCC3)C

InChI

InChI=1S/C23H26N4O4S/c1-3-31-23(29)20-14-17(15-24)22(25-16(20)2)32-13-8-21(28)26-18-4-6-19(7-5-18)27-9-11-30-12-10-27/h4-7,14H,3,8-13H2,1-2H3,(H,26,28)