methyl 2-[[5-[(5-chloranylpyridin-3-yl)oxymethyl]-1,2-oxazol-3-yl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl 2-[[5-[(5-chloranylpyridin-3-yl)oxymethyl]-1,2-oxazol-3-yl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl 2-[[5-[(5-chloro-3-pyridyl)oxymethyl]isoxazole-3-carbonyl]amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[[5-[(5-chloro-3-pyridinyl)oxymethyl]-3-isoxazolyl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[[5-[(5-chloropyridin-3-yl)oxymethyl]-1,2-oxazole-3-carbonyl]amino]-4-methylsulfanylbutanoate Traditional Name: 2-[[5-[(5-chloro-3-pyridyl)oxymethyl]isoxazole-3-carbonyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C16H18ClN3O5S MolecularWeight: 399.84922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)C1=NOC(=C1)COC2=CC(=CN=C2)Cl

Isomeric SMILES

COC(=O)C(CCSC)NC(=O)C1=NOC(=C1)COC2=CC(=CN=C2)Cl

InChI

InChI=1S/C16H18ClN3O5S/c1-23-16(22)13(3-4-26-2)19-15(21)14-6-12(25-20-14)9-24-11-5-10(17)7-18-8-11/h5-8,13H,3-4,9H2,1-2H3,(H,19,21)