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

Systemtic Name: methyl 4-[5-[4-(3-phenoxypropoxy)phenyl]-1,3,4-thiadiazol-2-yl]benzoate Openeye Name: methyl 4-[5-[4-(3-phenoxypropoxy)phenyl]-1,3,4-thiadiazol-2-yl]benzoate CAS Name: 4-[5-[4-(3-phenoxypropoxy)phenyl]-1,3,4-thiadiazol-2-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[5-[4-(3-phenoxypropoxy)phenyl]-1,3,4-thiadiazol-2-yl]benzoate Traditional Name: 4-[5-[4-(3-phenoxypropoxy)phenyl]-1,3,4-thiadiazol-2-yl]benzoic acid methyl ester Formula: C25H22N2O4S MolecularWeight: 446.51818

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2=NN=C(S2)C3=CC=C(C=C3)OCCCOC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2=NN=C(S2)C3=CC=C(C=C3)OCCCOC4=CC=CC=C4

InChI

InChI=1S/C25H22N2O4S/c1-29-25(28)20-10-8-18(9-11-20)23-26-27-24(32-23)19-12-14-22(15-13-19)31-17-5-16-30-21-6-3-2-4-7-21/h2-4,6-15H,5,16-17H2,1H3