methyl 4-methyl-2-(2-pyridin-4-ylsulfanylethanoylamino)pentanoate

Systemtic Name: methyl 4-methyl-2-(2-pyridin-4-ylsulfanylethanoylamino)pentanoate Openeye Name: methyl 4-methyl-2-[[2-(4-pyridylsulfanyl)acetyl]amino]pentanoate CAS Name: 4-methyl-2-[[1-oxo-2-(pyridin-4-ylthio)ethyl]amino]pentanoic acid methyl ester IUPAC Name: methyl 4-methyl-2-[(2-pyridin-4-ylsulfanylacetyl)amino]pentanoate Traditional Name: 4-methyl-2-[[2-(4-pyridylthio)acetyl]amino]valeric acid methyl ester Formula: C14H20N2O3S MolecularWeight: 296.3852

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)NC(=O)CSC1=CC=NC=C1

Isomeric SMILES

CC(C)CC(C(=O)OC)NC(=O)CSC1=CC=NC=C1

InChI

InChI=1S/C14H20N2O3S/c1-10(2)8-12(14(18)19-3)16-13(17)9-20-11-4-6-15-7-5-11/h4-7,10,12H,8-9H2,1-3H3,(H,16,17)