3-[[5-[(4-propan-2-ylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]propanoic acid

Systemtic Name: 3-[[5-[(4-propan-2-ylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]propanoic acid Openeye Name: 3-[[5-[(4-isopropylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]propanoic acid CAS Name: 3-[[5-[(4-propan-2-ylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]thio]propanoic acid IUPAC Name: 3-[[5-[(4-propan-2-ylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]propanoic acid Traditional Name: 3-[[5-[(4-isopropylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]thio]propionic acid Formula: C15H18N2O4S MolecularWeight: 322.37942

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)OCC2=NN=C(O2)SCCC(=O)O

Isomeric SMILES

CC(C)C1=CC=C(C=C1)OCC2=NN=C(O2)SCCC(=O)O

InChI

InChI=1S/C15H18N2O4S/c1-10(2)11-3-5-12(6-4-11)20-9-13-16-17-15(21-13)22-8-7-14(18)19/h3-6,10H,7-9H2,1-2H3,(H,18,19)