2-[2-(3-cyano-6-ethyl-5-methyl-pyridin-2-yl)sulfanylethanoylamino]ethanoic acid

Systemtic Name: 2-[2-(3-cyano-6-ethyl-5-methyl-pyridin-2-yl)sulfanylethanoylamino]ethanoic acid Openeye Name: 2-[[2-[(3-cyano-6-ethyl-5-methyl-2-pyridyl)sulfanyl]acetyl]amino]acetic acid CAS Name: 2-[[2-[(3-cyano-6-ethyl-5-methyl-2-pyridinyl)thio]-1-oxoethyl]amino]acetic acid IUPAC Name: 2-[[2-(3-cyano-6-ethyl-5-methylpyridin-2-yl)sulfanylacetyl]amino]acetic acid Traditional Name: 2-[[2-[(3-cyano-6-ethyl-5-methyl-2-pyridyl)thio]acetyl]amino]acetic acid Formula: C13H15N3O3S MolecularWeight: 293.3415

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C(=N1)SCC(=O)NCC(=O)O)C#N)C

Isomeric SMILES

CCC1=C(C=C(C(=N1)SCC(=O)NCC(=O)O)C#N)C

InChI

InChI=1S/C13H15N3O3S/c1-3-10-8(2)4-9(5-14)13(16-10)20-7-11(17)15-6-12(18)19/h4H,3,6-7H2,1-2H3,(H,15,17)(H,18,19)