methyl 11-[4-(5-heptyl-1,3,4-thiadiazol-2-yl)phenoxy]undecanoate

Systemtic Name: methyl 11-[4-(5-heptyl-1,3,4-thiadiazol-2-yl)phenoxy]undecanoate Openeye Name: methyl 11-[4-(5-heptyl-1,3,4-thiadiazol-2-yl)phenoxy]undecanoate CAS Name: 11-[4-(5-heptyl-1,3,4-thiadiazol-2-yl)phenoxy]undecanoic acid methyl ester IUPAC Name: methyl 11-[4-(5-heptyl-1,3,4-thiadiazol-2-yl)phenoxy]undecanoate Traditional Name: 11-[4-(5-heptyl-1,3,4-thiadiazol-2-yl)phenoxy]undecanoic acid methyl ester Formula: C27H42N2O3S MolecularWeight: 474.69898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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