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

Systemtic Name: 3-[5-[2-(oxan-2-yloxy)ethyl]-1,3,4-thiadiazol-2-yl]benzoic acid Openeye Name: 3-[5-(2-tetrahydropyran-2-yloxyethyl)-1,3,4-thiadiazol-2-yl]benzoic acid CAS Name: 3-[5-[2-(2-oxanyloxy)ethyl]-1,3,4-thiadiazol-2-yl]benzoic acid IUPAC Name: 3-[5-[2-(oxan-2-yloxy)ethyl]-1,3,4-thiadiazol-2-yl]benzoic acid Traditional Name: 3-[5-(2-tetrahydropyran-2-yloxyethyl)-1,3,4-thiadiazol-2-yl]benzoic acid Formula: C16H18N2O4S MolecularWeight: 334.39012

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)OCCC2=NN=C(S2)C3=CC(=CC=C3)C(=O)O

Isomeric SMILES

C1CCOC(C1)OCCC2=NN=C(S2)C3=CC(=CC=C3)C(=O)O

InChI

InChI=1S/C16H18N2O4S/c19-16(20)12-5-3-4-11(10-12)15-18-17-13(23-15)7-9-22-14-6-1-2-8-21-14/h3-5,10,14H,1-2,6-9H2,(H,19,20)