4-methylsulfanyl-2-(1,2-oxazol-5-ylcarbonylamino)butanoic acid

Systemtic Name: 4-methylsulfanyl-2-(1,2-oxazol-5-ylcarbonylamino)butanoic acid Openeye Name: 2-(isoxazole-5-carbonylamino)-4-methylsulfanyl-butanoic acid CAS Name: 2-[[5-isoxazolyl(oxo)methyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 4-methylsulfanyl-2-(1,2-oxazole-5-carbonylamino)butanoic acid Traditional Name: 2-(isoxazole-5-carbonylamino)-4-(methylthio)butyric acid Formula: C9H12N2O4S MolecularWeight: 244.26758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)C1=CC=NO1

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)C1=CC=NO1

InChI

InChI=1S/C9H12N2O4S/c1-16-5-3-6(9(13)14)11-8(12)7-2-4-10-15-7/h2,4,6H,3,5H2,1H3,(H,11,12)(H,13,14)