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

Systemtic Name: 4-[[5-[(4-ethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]-sulfanyl-methyl]benzoic acid Openeye Name: 4-[[5-[(4-ethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]-sulfanyl-methyl]benzoic acid CAS Name: 4-[[5-[(4-ethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]-mercaptomethyl]benzoic acid IUPAC Name: 4-[[5-[(4-ethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]-sulfanylmethyl]benzoic acid Traditional Name: 4-[[5-[(4-ethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]-mercapto-methyl]benzoic acid Formula: C19H18N2O4S MolecularWeight: 370.42222

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OCC2=NN=C(O2)C(C3=CC=C(C=C3)C(=O)O)S

Isomeric SMILES

CCC1=CC=C(C=C1)OCC2=NN=C(O2)C(C3=CC=C(C=C3)C(=O)O)S

InChI

InChI=1S/C19H18N2O4S/c1-2-12-3-9-15(10-4-12)24-11-16-20-21-18(25-16)17(26)13-5-7-14(8-6-13)19(22)23/h3-10,17,26H,2,11H2,1H3,(H,22,23)