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

Systemtic Name: 4-[4-(5-pentadecyl-1,3,4-thiadiazol-2-yl)phenoxy]butanoic acid Openeye Name: 4-[4-(5-pentadecyl-1,3,4-thiadiazol-2-yl)phenoxy]butanoic acid CAS Name: 4-[4-(5-pentadecyl-1,3,4-thiadiazol-2-yl)phenoxy]butanoic acid IUPAC Name: 4-[4-(5-pentadecyl-1,3,4-thiadiazol-2-yl)phenoxy]butanoic acid Traditional Name: 4-[4-(5-pentadecyl-1,3,4-thiadiazol-2-yl)phenoxy]butyric acid Formula: C27H42N2O3S MolecularWeight: 474.69898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H42N2O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-25-28-29-27(33-25)23-18-20-24(21-19-23)32-22-15-17-26(30)31/h18-21H,2-17,22H2,1H3,(H,30,31)