methyl 3-[[5-[(4-ethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-4-methoxy-benzoate

Systemtic Name: methyl 3-[[5-[(4-ethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-4-methoxy-benzoate Openeye Name: methyl 3-[[5-[(4-ethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-4-methoxy-benzoate CAS Name: 3-[[[5-[(4-ethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]thio]methyl]-4-methoxybenzoic acid methyl ester IUPAC Name: methyl 3-[[5-[(4-ethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-4-methoxybenzoate Traditional Name: 3-[[[5-[(4-ethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]thio]methyl]-4-methoxy-benzoic acid methyl ester Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OCC2=NN=C(O2)SCC3=C(C=CC(=C3)C(=O)OC)OC

Isomeric SMILES

CCC1=CC=C(C=C1)OCC2=NN=C(O2)SCC3=C(C=CC(=C3)C(=O)OC)OC

InChI

InChI=1S/C21H22N2O5S/c1-4-14-5-8-17(9-6-14)27-12-19-22-23-21(28-19)29-13-16-11-15(20(24)26-3)7-10-18(16)25-2/h5-11H,4,12-13H2,1-3H3