methyl 3-methyl-2-(2-pyridin-4-ylsulfanylethanoylamino)butanoate

Systemtic Name: methyl 3-methyl-2-(2-pyridin-4-ylsulfanylethanoylamino)butanoate Openeye Name: methyl 3-methyl-2-[[2-(4-pyridylsulfanyl)acetyl]amino]butanoate CAS Name: 3-methyl-2-[[1-oxo-2-(pyridin-4-ylthio)ethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 3-methyl-2-[(2-pyridin-4-ylsulfanylacetyl)amino]butanoate Traditional Name: 3-methyl-2-[[2-(4-pyridylthio)acetyl]amino]butyric acid methyl ester Formula: C13H18N2O3S MolecularWeight: 282.35862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2O3S/c1-9(2)12(13(17)18-3)15-11(16)8-19-10-4-6-14-7-5-10/h4-7,9,12H,8H2,1-3H3,(H,15,16)