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

Systemtic Name: ethyl 3-[2-[butyl-[(4-methylphenyl)carbamoyl]amino]ethylsulfanylmethyl]-4-oxidanylidene-4-pyridin-3-yl-butanoate Openeye Name: ethyl 3-[2-[butyl(p-tolylcarbamoyl)amino]ethylsulfanylmethyl]-4-oxo-4-(3-pyridyl)butanoate CAS Name: 3-[[2-[butyl-[(4-methylanilino)-oxomethyl]amino]ethylthio]methyl]-4-oxo-4-(3-pyridinyl)butanoic acid ethyl ester IUPAC Name: ethyl 3-[2-[butyl-[(4-methylphenyl)carbamoyl]amino]ethylsulfanylmethyl]-4-oxo-4-pyridin-3-ylbutanoate Traditional Name: 3-[[2-[butyl(p-tolylcarbamoyl)amino]ethylthio]methyl]-4-keto-4-(3-pyridyl)butyric acid ethyl ester Formula: C26H35N3O4S MolecularWeight: 485.6388

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCSCC(CC(=O)OCC)C(=O)C1=CN=CC=C1)C(=O)NC2=CC=C(C=C2)C

Isomeric SMILES

CCCCN(CCSCC(CC(=O)OCC)C(=O)C1=CN=CC=C1)C(=O)NC2=CC=C(C=C2)C

InChI

InChI=1S/C26H35N3O4S/c1-4-6-14-29(26(32)28-23-11-9-20(3)10-12-23)15-16-34-19-22(17-24(30)33-5-2)25(31)21-8-7-13-27-18-21/h7-13,18,22H,4-6,14-17,19H2,1-3H3,(H,28,32)