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

Systemtic Name: 3-[2-[ethanoyl(methyl)amino]ethylsulfanylmethyl]-4-oxidanylidene-4-pyridin-3-yl-butanoic acid Openeye Name: 3-[2-[acetyl(methyl)amino]ethylsulfanylmethyl]-4-oxo-4-(3-pyridyl)butanoic acid CAS Name: 3-[[2-[acetyl(methyl)amino]ethylthio]methyl]-4-oxo-4-(3-pyridinyl)butanoic acid IUPAC Name: 3-[2-[acetyl(methyl)amino]ethylsulfanylmethyl]-4-oxo-4-pyridin-3-ylbutanoic acid Traditional Name: 3-[[2-[acetyl(methyl)amino]ethylthio]methyl]-4-keto-4-(3-pyridyl)butyric acid Formula: C15H20N2O4S MolecularWeight: 324.3953

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N2O4S/c1-11(18)17(2)6-7-22-10-13(8-14(19)20)15(21)12-4-3-5-16-9-12/h3-5,9,13H,6-8,10H2,1-2H3,(H,19,20)