3-[[2-(methylamino)-2-oxidanylidene-ethyl]sulfanylmethyl]-4-oxidanylidene-4-pyridin-3-yl-butanoic acid

Systemtic Name: 3-[[2-(methylamino)-2-oxidanylidene-ethyl]sulfanylmethyl]-4-oxidanylidene-4-pyridin-3-yl-butanoic acid Openeye Name: 3-[[2-(methylamino)-2-oxo-ethyl]sulfanylmethyl]-4-oxo-4-(3-pyridyl)butanoic acid CAS Name: 3-[[[2-(methylamino)-2-oxoethyl]thio]methyl]-4-oxo-4-(3-pyridinyl)butanoic acid IUPAC Name: 3-[[2-(methylamino)-2-oxoethyl]sulfanylmethyl]-4-oxo-4-pyridin-3-ylbutanoic acid Traditional Name: 4-keto-3-[[[2-keto-2-(methylamino)ethyl]thio]methyl]-4-(3-pyridyl)butyric acid Formula: C13H16N2O4S MolecularWeight: 296.34214

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)CSCC(CC(=O)O)C(=O)C1=CN=CC=C1

Isomeric SMILES

CNC(=O)CSCC(CC(=O)O)C(=O)C1=CN=CC=C1

InChI

InChI=1S/C13H16N2O4S/c1-14-11(16)8-20-7-10(5-12(17)18)13(19)9-3-2-4-15-6-9/h2-4,6,10H,5,7-8H2,1H3,(H,14,16)(H,17,18)