[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl (2S)-2-phenylsulfanylpropanoate

Systemtic Name: [3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl (2S)-2-phenylsulfanylpropanoate Openeye Name: [3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl (2S)-2-phenylsulfanylpropanoate CAS Name: (2S)-2-(phenylthio)propanoic acid [3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: [3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl (2S)-2-phenylsulfanylpropanoate Traditional Name: (2S)-2-(phenylthio)propionic acid [3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C20H20N2O3S MolecularWeight: 368.4494

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NOC(=N2)COC(=O)C(C)SC3=CC=CC=C3

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NOC(=N2)COC(=O)[C@H](C)SC3=CC=CC=C3

InChI

InChI=1S/C20H20N2O3S/c1-3-15-9-11-16(12-10-15)19-21-18(25-22-19)13-24-20(23)14(2)26-17-7-5-4-6-8-17/h4-12,14H,3,13H2,1-2H3/t14-/m0/s1