2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[5-(2-furyl)isoxazole-3-carbonyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[[5-(2-furanyl)-3-isoxazolyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[5-(2-furyl)isoxazole-3-carbonyl]amino]-4-(methylthio)butyric acid Formula: C13H14N2O5S MolecularWeight: 310.32566

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)C1=NOC(=C1)C2=CC=CO2

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)C1=NOC(=C1)C2=CC=CO2

InChI

InChI=1S/C13H14N2O5S/c1-21-6-4-8(13(17)18)14-12(16)9-7-11(20-15-9)10-3-2-5-19-10/h2-3,5,7-8H,4,6H2,1H3,(H,14,16)(H,17,18)