3-[2-[ethanoyl(ethyl)amino]ethylsulfanylmethyl]-4-oxidanylidene-4-pyridin-3-yl-butanoic acid

Systemtic Name: 3-[2-[ethanoyl(ethyl)amino]ethylsulfanylmethyl]-4-oxidanylidene-4-pyridin-3-yl-butanoic acid Openeye Name: 3-[2-[acetyl(ethyl)amino]ethylsulfanylmethyl]-4-oxo-4-(3-pyridyl)butanoic acid CAS Name: 3-[[2-[acetyl(ethyl)amino]ethylthio]methyl]-4-oxo-4-(3-pyridinyl)butanoic acid IUPAC Name: 3-[2-[acetyl(ethyl)amino]ethylsulfanylmethyl]-4-oxo-4-pyridin-3-ylbutanoic acid Traditional Name: 3-[[2-[acetyl(ethyl)amino]ethylthio]methyl]-4-keto-4-(3-pyridyl)butyric acid Formula: C16H22N2O4S MolecularWeight: 338.42188

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCSCC(CC(=O)O)C(=O)C1=CN=CC=C1)C(=O)C

Isomeric SMILES

CCN(CCSCC(CC(=O)O)C(=O)C1=CN=CC=C1)C(=O)C

InChI

InChI=1S/C16H22N2O4S/c1-3-18(12(2)19)7-8-23-11-14(9-15(20)21)16(22)13-5-4-6-17-10-13/h4-6,10,14H,3,7-9,11H2,1-2H3,(H,20,21)