methyl 2-[2-(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanylethanoylamino]ethanoate

Systemtic Name: methyl 2-[2-(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanylethanoylamino]ethanoate Openeye Name: methyl 2-[[2-[(3-cyano-4,6-dimethyl-2-pyridyl)sulfanyl]acetyl]amino]acetate CAS Name: 2-[[2-[(3-cyano-4,6-dimethyl-2-pyridinyl)thio]-1-oxoethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[2-(3-cyano-4,6-dimethylpyridin-2-yl)sulfanylacetyl]amino]acetate Traditional Name: 2-[[2-[(3-cyano-4,6-dimethyl-2-pyridyl)thio]acetyl]amino]acetic acid methyl ester Formula: C13H15N3O3S MolecularWeight: 293.3415

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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