3-[5-(oxan-2-yloxymethyl)-1,3,4-thiadiazol-2-yl]benzoic acid

Systemtic Name: 3-[5-(oxan-2-yloxymethyl)-1,3,4-thiadiazol-2-yl]benzoic acid Openeye Name: 3-[5-(tetrahydropyran-2-yloxymethyl)-1,3,4-thiadiazol-2-yl]benzoic acid CAS Name: 3-[5-(2-oxanyloxymethyl)-1,3,4-thiadiazol-2-yl]benzoic acid IUPAC Name: 3-[5-(oxan-2-yloxymethyl)-1,3,4-thiadiazol-2-yl]benzoic acid Traditional Name: 3-[5-(tetrahydropyran-2-yloxymethyl)-1,3,4-thiadiazol-2-yl]benzoic acid Formula: C15H16N2O4S MolecularWeight: 320.36354

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)OCC2=NN=C(S2)C3=CC(=CC=C3)C(=O)O

Isomeric SMILES

C1CCOC(C1)OCC2=NN=C(S2)C3=CC(=CC=C3)C(=O)O

InChI

InChI=1S/C15H16N2O4S/c18-15(19)11-5-3-4-10(8-11)14-17-16-12(22-14)9-21-13-6-1-2-7-20-13/h3-5,8,13H,1-2,6-7,9H2,(H,18,19)