ethyl 3-[2-[butyl-(4-cyanophenyl)carbonyl-amino]ethylsulfanylmethyl]-4-oxidanylidene-4-pyridin-3-yl-butanoate

Systemtic Name: ethyl 3-[2-[butyl-(4-cyanophenyl)carbonyl-amino]ethylsulfanylmethyl]-4-oxidanylidene-4-pyridin-3-yl-butanoate Openeye Name: ethyl 3-[2-[butyl-(4-cyanobenzoyl)amino]ethylsulfanylmethyl]-4-oxo-4-(3-pyridyl)butanoate CAS Name: 3-[[2-[butyl-[(4-cyanophenyl)-oxomethyl]amino]ethylthio]methyl]-4-oxo-4-(3-pyridinyl)butanoic acid ethyl ester IUPAC Name: ethyl 3-[2-[butyl-(4-cyanobenzoyl)amino]ethylsulfanylmethyl]-4-oxo-4-pyridin-3-ylbutanoate Traditional Name: 3-[[2-[butyl-(4-cyanobenzoyl)amino]ethylthio]methyl]-4-keto-4-(3-pyridyl)butyric acid ethyl ester Formula: C26H31N3O4S MolecularWeight: 481.60704

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCSCC(CC(=O)OCC)C(=O)C1=CN=CC=C1)C(=O)C2=CC=C(C=C2)C#N

Isomeric SMILES

CCCCN(CCSCC(CC(=O)OCC)C(=O)C1=CN=CC=C1)C(=O)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C26H31N3O4S/c1-3-5-13-29(26(32)21-10-8-20(17-27)9-11-21)14-15-34-19-23(16-24(30)33-4-2)25(31)22-7-6-12-28-18-22/h6-12,18,23H,3-5,13-16,19H2,1-2H3