[4-[5-(4-octoxyphenyl)-1,3,4-thiadiazol-2-yl]phenyl] 2-heptoxypropanoate

Systemtic Name: [4-[5-(4-octoxyphenyl)-1,3,4-thiadiazol-2-yl]phenyl] 2-heptoxypropanoate Openeye Name: [4-[5-(4-octoxyphenyl)-1,3,4-thiadiazol-2-yl]phenyl] 2-heptoxypropanoate CAS Name: 2-heptoxypropanoic acid [4-[5-(4-octoxyphenyl)-1,3,4-thiadiazol-2-yl]phenyl] ester IUPAC Name: [4-[5-(4-octoxyphenyl)-1,3,4-thiadiazol-2-yl]phenyl] 2-heptoxypropanoate Traditional Name: 2-heptoxypropionic acid [4-[5-(4-octoxyphenyl)-1,3,4-thiadiazol-2-yl]phenyl] ester Formula: C32H44N2O4S MolecularWeight: 552.76776

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=NN=C(S2)C3=CC=C(C=C3)OC(=O)C(C)OCCCCCCC

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=NN=C(S2)C3=CC=C(C=C3)OC(=O)C(C)OCCCCCCC

InChI

InChI=1S/C32H44N2O4S/c1-4-6-8-10-12-14-24-37-28-19-15-26(16-20-28)30-33-34-31(39-30)27-17-21-29(22-18-27)38-32(35)25(3)36-23-13-11-9-7-5-2/h15-22,25H,4-14,23-24H2,1-3H3