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

Systemtic Name: methyl 2-[2-(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanylethanoylamino]-3-methyl-pentanoate Openeye Name: methyl 2-[[2-[(3-cyano-4,6-dimethyl-2-pyridyl)sulfanyl]acetyl]amino]-3-methyl-pentanoate CAS Name: 2-[[2-[(3-cyano-4,6-dimethyl-2-pyridinyl)thio]-1-oxoethyl]amino]-3-methylpentanoic acid methyl ester IUPAC Name: methyl 2-[[2-(3-cyano-4,6-dimethylpyridin-2-yl)sulfanylacetyl]amino]-3-methylpentanoate Traditional Name: 2-[[2-[(3-cyano-4,6-dimethyl-2-pyridyl)thio]acetyl]amino]-3-methyl-valeric acid methyl ester Formula: C17H23N3O3S MolecularWeight: 349.44782

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC)NC(=O)CSC1=C(C(=CC(=N1)C)C)C#N

Isomeric SMILES

CCC(C)C(C(=O)OC)NC(=O)CSC1=C(C(=CC(=N1)C)C)C#N

InChI

InChI=1S/C17H23N3O3S/c1-6-10(2)15(17(22)23-5)20-14(21)9-24-16-13(8-18)11(3)7-12(4)19-16/h7,10,15H,6,9H2,1-5H3,(H,20,21)