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

Systemtic Name: 4-[(5-thiophen-2-yl-1,2-oxazol-3-yl)carbonylamino]butanoic acid Openeye Name: 4-[[5-(2-thienyl)isoxazole-3-carbonyl]amino]butanoic acid CAS Name: 4-[[oxo-(5-thiophen-2-yl-3-isoxazolyl)methyl]amino]butanoic acid IUPAC Name: 4-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]butanoic acid Traditional Name: 4-[[5-(2-thienyl)isoxazole-3-carbonyl]amino]butyric acid Formula: C12H12N2O4S MolecularWeight: 280.29968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2=CC(=NO2)C(=O)NCCCC(=O)O

Isomeric SMILES

C1=CSC(=C1)C2=CC(=NO2)C(=O)NCCCC(=O)O

InChI

InChI=1S/C12H12N2O4S/c15-11(16)4-1-5-13-12(17)8-7-9(18-14-8)10-3-2-6-19-10/h2-3,6-7H,1,4-5H2,(H,13,17)(H,15,16)