methyl 3-oxidanyl-2-(2-pyridin-4-ylsulfanylethanoylamino)propanoate

Systemtic Name: methyl 3-oxidanyl-2-(2-pyridin-4-ylsulfanylethanoylamino)propanoate Openeye Name: methyl 3-hydroxy-2-[[2-(4-pyridylsulfanyl)acetyl]amino]propanoate CAS Name: 3-hydroxy-2-[[1-oxo-2-(pyridin-4-ylthio)ethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-hydroxy-2-[(2-pyridin-4-ylsulfanylacetyl)amino]propanoate Traditional Name: 3-hydroxy-2-[[2-(4-pyridylthio)acetyl]amino]propionic acid methyl ester Formula: C11H14N2O4S MolecularWeight: 270.30486

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CO)NC(=O)CSC1=CC=NC=C1

Isomeric SMILES

COC(=O)C(CO)NC(=O)CSC1=CC=NC=C1

InChI

InChI=1S/C11H14N2O4S/c1-17-11(16)9(6-14)13-10(15)7-18-8-2-4-12-5-3-8/h2-5,9,14H,6-7H2,1H3,(H,13,15)