2-azanyl-3-[3-(carboxymethyloxy)-5-thiophen-2-yl-1,2-oxazol-4-yl]propanoic acid

Systemtic Name: 2-azanyl-3-[3-(carboxymethyloxy)-5-thiophen-2-yl-1,2-oxazol-4-yl]propanoic acid Openeye Name: 2-amino-3-[3-(carboxymethyloxy)-5-(2-thienyl)isoxazol-4-yl]propanoic acid CAS Name: 2-amino-3-[3-(carboxymethyloxy)-5-thiophen-2-yl-4-isoxazolyl]propanoic acid IUPAC Name: 2-amino-3-[3-(carboxymethyloxy)-5-thiophen-2-yl-1,2-oxazol-4-yl]propanoic acid Traditional Name: 2-amino-3-[3-(carboxymethyloxy)-5-(2-thienyl)isoxazol-4-yl]propionic acid Formula: C12H12N2O6S MolecularWeight: 312.29848

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2=C(C(=NO2)OCC(=O)O)CC(C(=O)O)N

Isomeric SMILES

C1=CSC(=C1)C2=C(C(=NO2)OCC(=O)O)CC(C(=O)O)N

InChI

InChI=1S/C12H12N2O6S/c13-7(12(17)18)4-6-10(8-2-1-3-21-8)20-14-11(6)19-5-9(15)16/h1-3,7H,4-5,13H2,(H,15,16)(H,17,18)