2-[[3-(carboxymethyloxy)-5-thiophen-2-yl-5H-1,2-oxazol-2-yl]methylcarbamoyl]benzoic acid

Systemtic Name: 2-[[3-(carboxymethyloxy)-5-thiophen-2-yl-5H-1,2-oxazol-2-yl]methylcarbamoyl]benzoic acid Openeye Name: 2-[[3-(carboxymethyloxy)-5-(2-thienyl)-5H-isoxazol-2-yl]methylcarbamoyl]benzoic acid CAS Name: 2-[[[3-(carboxymethyloxy)-5-thiophen-2-yl-5H-isoxazol-2-yl]methylamino]-oxomethyl]benzoic acid IUPAC Name: 2-[[3-(carboxymethyloxy)-5-thiophen-2-yl-5H-1,2-oxazol-2-yl]methylcarbamoyl]benzoic acid Traditional Name: 2-[[3-(carboxymethyloxy)-5-(2-thienyl)-3-isoxazolin-2-yl]methylcarbamoyl]benzoic acid Formula: C18H16N2O7S MolecularWeight: 404.39384

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NCN2C(=CC(O2)C3=CC=CS3)OCC(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NCN2C(=CC(O2)C3=CC=CS3)OCC(=O)O)C(=O)O

InChI

InChI=1S/C18H16N2O7S/c21-16(22)9-26-15-8-13(14-6-3-7-28-14)27-20(15)10-19-17(23)11-4-1-2-5-12(11)18(24)25/h1-8,13H,9-10H2,(H,19,23)(H,21,22)(H,24,25)