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

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

CC(C)(C)C1=NN=C(O1)SCCCOC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

CC(C)(C)C1=NN=C(O1)SCCCOC2=CC=CC(=C2)C(=O)O

InChI

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