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

Systemtic Name: 2-[3-[(5-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]propoxy]benzoic acid Openeye Name: 2-[3-[(5-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]propoxy]benzoic acid CAS Name: 2-[3-[(5-butyl-1,3,4-oxadiazol-2-yl)thio]propoxy]benzoic acid IUPAC Name: 2-[3-[(5-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]propoxy]benzoic acid Traditional Name: 2-[3-[(5-butyl-1,3,4-oxadiazol-2-yl)thio]propoxy]benzoic acid Formula: C16H20N2O4S MolecularWeight: 336.406

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN=C(O1)SCCCOC2=CC=CC=C2C(=O)O

Isomeric SMILES

CCCCC1=NN=C(O1)SCCCOC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C16H20N2O4S/c1-2-3-9-14-17-18-16(22-14)23-11-6-10-21-13-8-5-4-7-12(13)15(19)20/h4-5,7-8H,2-3,6,9-11H2,1H3,(H,19,20)