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

Systemtic Name: ethyl (2S)-2-[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-2-phenyl-ethanoate Openeye Name: ethyl (2S)-2-[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-2-phenyl-acetate CAS Name: (2S)-2-[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]thio]-2-phenylacetic acid ethyl ester IUPAC Name: ethyl (2S)-2-[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-2-phenylacetate Traditional Name: (2S)-2-[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]thio]-2-phenyl-acetic acid ethyl ester Formula: C22H26N2O3S MolecularWeight: 398.51844

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=CC=CC=C1)SC2=NN=C(O2)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCOC(=O)[C@H](C1=CC=CC=C1)SC2=NN=C(O2)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H26N2O3S/c1-2-26-19(25)18(17-6-4-3-5-7-17)28-21-24-23-20(27-21)22-11-14-8-15(12-22)10-16(9-14)13-22/h3-7,14-16,18H,2,8-13H2,1H3/t14?,15?,16?,18-,22?/m0/s1