(2S)-2-oxidanyl-4-[4-(5-pentadecyl-1,3,4-thiadiazol-2-yl)phenoxy]butanoic acid

Systemtic Name: (2S)-2-oxidanyl-4-[4-(5-pentadecyl-1,3,4-thiadiazol-2-yl)phenoxy]butanoic acid Openeye Name: (2S)-2-hydroxy-4-[4-(5-pentadecyl-1,3,4-thiadiazol-2-yl)phenoxy]butanoic acid CAS Name: (2S)-2-hydroxy-4-[4-(5-pentadecyl-1,3,4-thiadiazol-2-yl)phenoxy]butanoic acid IUPAC Name: (2S)-2-hydroxy-4-[4-(5-pentadecyl-1,3,4-thiadiazol-2-yl)phenoxy]butanoic acid Traditional Name: (2S)-2-hydroxy-4-[4-(5-pentadecyl-1,3,4-thiadiazol-2-yl)phenoxy]butyric acid Formula: C27H42N2O4S MolecularWeight: 490.69838

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC1=NN=C(S1)C2=CC=C(C=C2)OCCC(C(=O)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCC1=NN=C(S1)C2=CC=C(C=C2)OCC[C@@H](C(=O)O)O

InChI

InChI=1S/C27H42N2O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-25-28-29-26(34-25)22-16-18-23(19-17-22)33-21-20-24(30)27(31)32/h16-19,24,30H,2-15,20-21H2,1H3,(H,31,32)/t24-/m0/s1