ethyl 2-[(5-ethynyl-2-methyl-3-oxidanyl-pyridin-4-yl)methylsulfanylcarbonylamino]ethanoate

Systemtic Name: ethyl 2-[(5-ethynyl-2-methyl-3-oxidanyl-pyridin-4-yl)methylsulfanylcarbonylamino]ethanoate Openeye Name: ethyl 2-[(5-ethynyl-3-hydroxy-2-methyl-4-pyridyl)methylsulfanylcarbonylamino]acetate CAS Name: 2-[[[(5-ethynyl-3-hydroxy-2-methyl-4-pyridinyl)methylthio]-oxomethyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[(5-ethynyl-3-hydroxy-2-methylpyridin-4-yl)methylsulfanylcarbonylamino]acetate Traditional Name: 2-[[(5-ethynyl-3-hydroxy-2-methyl-4-pyridyl)methylthio]carbonylamino]acetic acid ethyl ester Formula: C14H16N2O4S MolecularWeight: 308.35284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC(=O)SCC1=C(C(=NC=C1C#C)C)O

Isomeric SMILES

CCOC(=O)CNC(=O)SCC1=C(C(=NC=C1C#C)C)O

InChI

InChI=1S/C14H16N2O4S/c1-4-10-6-15-9(3)13(18)11(10)8-21-14(19)16-7-12(17)20-5-2/h1,6,18H,5,7-8H2,2-3H3,(H,16,19)