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

Systemtic Name: ethyl 5-cyano-6-[2-[(4-methylphenyl)methyl-propyl-amino]-2-oxidanylidene-ethyl]sulfanyl-2-oxidanylidene-1H-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-2-oxo-6-[2-oxo-2-[propyl(p-tolylmethyl)amino]ethyl]sulfanyl-1H-pyridine-3-carboxylate CAS Name: 5-cyano-6-[[2-[(4-methylphenyl)methyl-propylamino]-2-oxoethyl]thio]-2-oxo-1H-pyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-6-[2-[(4-methylphenyl)methyl-propylamino]-2-oxoethyl]sulfanyl-2-oxo-1H-pyridine-3-carboxylate Traditional Name: 5-cyano-2-keto-6-[[2-keto-2-[(4-methylbenzyl)-propyl-amino]ethyl]thio]-1H-pyridine-3-carboxylic acid ethyl ester Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=CC=C(C=C1)C)C(=O)CSC2=C(C=C(C(=O)N2)C(=O)OCC)C#N

Isomeric SMILES

CCCN(CC1=CC=C(C=C1)C)C(=O)CSC2=C(C=C(C(=O)N2)C(=O)OCC)C#N

InChI

InChI=1S/C22H25N3O4S/c1-4-10-25(13-16-8-6-15(3)7-9-16)19(26)14-30-21-17(12-23)11-18(20(27)24-21)22(28)29-5-2/h6-9,11H,4-5,10,13-14H2,1-3H3,(H,24,27)