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

Systemtic Name: 4-[2-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethoxy]benzoic acid Openeye Name: 4-[2-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethoxy]benzoic acid CAS Name: 4-[2-[(5-propyl-1,3,4-oxadiazol-2-yl)thio]ethoxy]benzoic acid IUPAC Name: 4-[2-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethoxy]benzoic acid Traditional Name: 4-[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=C(C=C2)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C14H16N2O4S/c1-2-3-12-15-16-14(20-12)21-9-8-19-11-6-4-10(5-7-11)13(17)18/h4-7H,2-3,8-9H2,1H3,(H,17,18)