3-[2-(methylsulfonylamino)ethylsulfanylmethyl]-4-oxidanylidene-4-pyridin-3-yl-butanoic acid

Systemtic Name: 3-[2-(methylsulfonylamino)ethylsulfanylmethyl]-4-oxidanylidene-4-pyridin-3-yl-butanoic acid Openeye Name: 3-[2-(methanesulfonamido)ethylsulfanylmethyl]-4-oxo-4-(3-pyridyl)butanoic acid CAS Name: 3-[[2-(methanesulfonamido)ethylthio]methyl]-4-oxo-4-(3-pyridinyl)butanoic acid IUPAC Name: 3-[2-(methanesulfonamido)ethylsulfanylmethyl]-4-oxo-4-pyridin-3-ylbutanoic acid Traditional Name: 4-keto-3-[[2-(methanesulfonamido)ethylthio]methyl]-4-(3-pyridyl)butyric acid Formula: C13H18N2O5S2 MolecularWeight: 346.42242

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NCCSCC(CC(=O)O)C(=O)C1=CN=CC=C1

Isomeric SMILES

CS(=O)(=O)NCCSCC(CC(=O)O)C(=O)C1=CN=CC=C1

InChI

InChI=1S/C13H18N2O5S2/c1-22(19,20)15-5-6-21-9-11(7-12(16)17)13(18)10-3-2-4-14-8-10/h2-4,8,11,15H,5-7,9H2,1H3,(H,16,17)