3-[2-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethoxy]benzoic acid

Systemtic Name: 3-[2-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethoxy]benzoic acid Openeye Name: 3-[2-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethoxy]benzoic acid CAS Name: 3-[2-[(5-propyl-1,3,4-oxadiazol-2-yl)thio]ethoxy]benzoic acid IUPAC Name: 3-[2-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethoxy]benzoic acid Traditional Name: 3-[2-[(5-propyl-1,3,4-oxadiazol-2-yl)thio]ethoxy]benzoic acid Formula: C14H16N2O4S MolecularWeight: 308.35284

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(O1)SCCOC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

CCCC1=NN=C(O1)SCCOC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C14H16N2O4S/c1-2-4-12-15-16-14(20-12)21-8-7-19-11-6-3-5-10(9-11)13(17)18/h3,5-6,9H,2,4,7-8H2,1H3,(H,17,18)