5-[4-(5-heptyl-1,3,4-thiadiazol-2-yl)phenoxy]pentanoic acid

Systemtic Name: 5-[4-(5-heptyl-1,3,4-thiadiazol-2-yl)phenoxy]pentanoic acid Openeye Name: 5-[4-(5-heptyl-1,3,4-thiadiazol-2-yl)phenoxy]pentanoic acid CAS Name: 5-[4-(5-heptyl-1,3,4-thiadiazol-2-yl)phenoxy]pentanoic acid IUPAC Name: 5-[4-(5-heptyl-1,3,4-thiadiazol-2-yl)phenoxy]pentanoic acid Traditional Name: 5-[4-(5-heptyl-1,3,4-thiadiazol-2-yl)phenoxy]valeric acid Formula: C20H28N2O3S MolecularWeight: 376.51292

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=NN=C(S1)C2=CC=C(C=C2)OCCCCC(=O)O

Isomeric SMILES

CCCCCCCC1=NN=C(S1)C2=CC=C(C=C2)OCCCCC(=O)O

InChI

InChI=1S/C20H28N2O3S/c1-2-3-4-5-6-9-18-21-22-20(26-18)16-11-13-17(14-12-16)25-15-8-7-10-19(23)24/h11-14H,2-10,15H2,1H3,(H,23,24)