2-[2-(3-cyano-4,5,6-trimethyl-pyridin-2-yl)sulfanylethanoylamino]ethanoic acid

Systemtic Name: 2-[2-(3-cyano-4,5,6-trimethyl-pyridin-2-yl)sulfanylethanoylamino]ethanoic acid Openeye Name: 2-[[2-[(3-cyano-4,5,6-trimethyl-2-pyridyl)sulfanyl]acetyl]amino]acetic acid CAS Name: 2-[[2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)thio]-1-oxoethyl]amino]acetic acid IUPAC Name: 2-[[2-(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanylacetyl]amino]acetic acid Traditional Name: 2-[[2-[(3-cyano-4,5,6-trimethyl-2-pyridyl)thio]acetyl]amino]acetic acid Formula: C13H15N3O3S MolecularWeight: 293.3415

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N3O3S/c1-7-8(2)10(4-14)13(16-9(7)3)20-6-11(17)15-5-12(18)19/h5-6H2,1-3H3,(H,15,17)(H,18,19)