ethyl (2S)-2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-2-phenyl-ethanoate

Systemtic Name: ethyl (2S)-2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-2-phenyl-ethanoate Openeye Name: ethyl (2S)-2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-2-phenyl-acetate CAS Name: (2S)-2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]thio]-2-phenylacetic acid ethyl ester IUPAC Name: ethyl (2S)-2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-2-phenylacetate Traditional Name: (2S)-2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]thio]-2-phenyl-acetic acid ethyl ester Formula: C22H24N2O3S MolecularWeight: 396.50256

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=CC=CC=C1)SC2=NN=C(O2)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CCOC(=O)[C@H](C1=CC=CC=C1)SC2=NN=C(O2)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C22H24N2O3S/c1-5-26-20(25)18(15-9-7-6-8-10-15)28-21-24-23-19(27-21)16-11-13-17(14-12-16)22(2,3)4/h6-14,18H,5H2,1-4H3/t18-/m0/s1