2-[2-(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanylethanoylamino]ethanoic acid

Systemtic Name: 2-[2-(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanylethanoylamino]ethanoic acid Openeye Name: 2-[[2-[(3-cyano-4,6-dimethyl-2-pyridyl)sulfanyl]acetyl]amino]acetic acid CAS Name: 2-[[2-[(3-cyano-4,6-dimethyl-2-pyridinyl)thio]-1-oxoethyl]amino]acetic acid IUPAC Name: 2-[[2-(3-cyano-4,6-dimethylpyridin-2-yl)sulfanylacetyl]amino]acetic acid Traditional Name: 2-[[2-[(3-cyano-4,6-dimethyl-2-pyridyl)thio]acetyl]amino]acetic acid Formula: C12H13N3O3S MolecularWeight: 279.31492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)SCC(=O)NCC(=O)O)C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)SCC(=O)NCC(=O)O)C

InChI

InChI=1S/C12H13N3O3S/c1-7-3-8(2)15-12(9(7)4-13)19-6-10(16)14-5-11(17)18/h3H,5-6H2,1-2H3,(H,14,16)(H,17,18)