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

Systemtic Name: 3-[2-[(5-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethoxy]benzoic acid Openeye Name: 3-[2-[(5-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethoxy]benzoic acid CAS Name: 3-[2-[(5-butyl-1,3,4-oxadiazol-2-yl)thio]ethoxy]benzoic acid IUPAC Name: 3-[2-[(5-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethoxy]benzoic acid Traditional Name: 3-[2-[(5-butyl-1,3,4-oxadiazol-2-yl)thio]ethoxy]benzoic acid Formula: C15H18N2O4S MolecularWeight: 322.37942

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN=C(O1)SCCOC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

CCCCC1=NN=C(O1)SCCOC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C15H18N2O4S/c1-2-3-7-13-16-17-15(21-13)22-9-8-20-12-6-4-5-11(10-12)14(18)19/h4-6,10H,2-3,7-9H2,1H3,(H,18,19)