(2R)-2-acetamido-3-[(6-ethyl-5-oxidanyl-4-oxidanylidene-1H-pyridin-2-yl)sulfanyl]propanoic acid

Systemtic Name: (2R)-2-acetamido-3-[(6-ethyl-5-oxidanyl-4-oxidanylidene-1H-pyridin-2-yl)sulfanyl]propanoic acid Openeye Name: (2R)-2-acetamido-3-[(6-ethyl-5-hydroxy-4-oxo-1H-pyridin-2-yl)sulfanyl]propanoic acid CAS Name: (2R)-2-acetamido-3-[(6-ethyl-5-hydroxy-4-oxo-1H-pyridin-2-yl)thio]propanoic acid IUPAC Name: (2R)-2-acetamido-3-[(6-ethyl-5-hydroxy-4-oxo-1H-pyridin-2-yl)sulfanyl]propanoic acid Traditional Name: (2R)-2-acetamido-3-[(6-ethyl-5-hydroxy-4-keto-1H-pyridin-2-yl)thio]propionic acid Formula: C12H16N2O5S MolecularWeight: 300.33084

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=O)C=C(N1)SCC(C(=O)O)NC(=O)C)O

Isomeric SMILES

CCC1=C(C(=O)C=C(N1)SC[C@@H](C(=O)O)NC(=O)C)O

InChI

InChI=1S/C12H16N2O5S/c1-3-7-11(17)9(16)4-10(14-7)20-5-8(12(18)19)13-6(2)15/h4,8,17H,3,5H2,1-2H3,(H,13,15)(H,14,16)(H,18,19)/t8-/m0/s1