methyl 5-[4-(5-heptyl-1,3,4-thiadiazol-2-yl)phenoxy]pentanoate

Systemtic Name: methyl 5-[4-(5-heptyl-1,3,4-thiadiazol-2-yl)phenoxy]pentanoate Openeye Name: methyl 5-[4-(5-heptyl-1,3,4-thiadiazol-2-yl)phenoxy]pentanoate CAS Name: 5-[4-(5-heptyl-1,3,4-thiadiazol-2-yl)phenoxy]pentanoic acid methyl ester IUPAC Name: methyl 5-[4-(5-heptyl-1,3,4-thiadiazol-2-yl)phenoxy]pentanoate Traditional Name: 5-[4-(5-heptyl-1,3,4-thiadiazol-2-yl)phenoxy]valeric acid methyl ester Formula: C21H30N2O3S MolecularWeight: 390.5395

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N2O3S/c1-3-4-5-6-7-10-19-22-23-21(27-19)17-12-14-18(15-13-17)26-16-9-8-11-20(24)25-2/h12-15H,3-11,16H2,1-2H3