methyl 4-[5-[4-(8-methoxyoctoxy)phenyl]-1,3,4-thiadiazol-2-yl]benzoate

Systemtic Name: methyl 4-[5-[4-(8-methoxyoctoxy)phenyl]-1,3,4-thiadiazol-2-yl]benzoate Openeye Name: methyl 4-[5-[4-(8-methoxyoctoxy)phenyl]-1,3,4-thiadiazol-2-yl]benzoate CAS Name: 4-[5-[4-(8-methoxyoctoxy)phenyl]-1,3,4-thiadiazol-2-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[5-[4-(8-methoxyoctoxy)phenyl]-1,3,4-thiadiazol-2-yl]benzoate Traditional Name: 4-[5-[4-(8-methoxyoctoxy)phenyl]-1,3,4-thiadiazol-2-yl]benzoic acid methyl ester Formula: C25H30N2O4S MolecularWeight: 454.5817

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Descriptors Computed from Structure

Canonical SMILES:

COCCCCCCCCOC1=CC=C(C=C1)C2=NN=C(S2)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

COCCCCCCCCOC1=CC=C(C=C1)C2=NN=C(S2)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C25H30N2O4S/c1-29-17-7-5-3-4-6-8-18-31-22-15-13-20(14-16-22)24-27-26-23(32-24)19-9-11-21(12-10-19)25(28)30-2/h9-16H,3-8,17-18H2,1-2H3