[2-bromanyl-4-[3-ethanoyl-5-(4-methoxyphenyl)-2H-1,3,4-oxadiazol-2-yl]-6-ethoxy-phenyl] 4-methylbenzenesulfonate

Systemtic Name: [2-bromanyl-4-[3-ethanoyl-5-(4-methoxyphenyl)-2H-1,3,4-oxadiazol-2-yl]-6-ethoxy-phenyl] 4-methylbenzenesulfonate Openeye Name: [4-[3-acetyl-5-(4-methoxyphenyl)-2H-1,3,4-oxadiazol-2-yl]-2-bromo-6-ethoxy-phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-[3-acetyl-5-(4-methoxyphenyl)-2H-1,3,4-oxadiazol-2-yl]-2-bromo-6-ethoxyphenyl] ester IUPAC Name: [4-[3-acetyl-5-(4-methoxyphenyl)-2H-1,3,4-oxadiazol-2-yl]-2-bromo-6-ethoxyphenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-[3-acetyl-5-(4-methoxyphenyl)-2H-1,3,4-oxadiazol-2-yl]-2-bromo-6-ethoxy-phenyl] ester Formula: C26H25BrN2O7S MolecularWeight: 589.4549

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C2N(N=C(O2)C3=CC=C(C=C3)OC)C(=O)C)Br)OS(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C2N(N=C(O2)C3=CC=C(C=C3)OC)C(=O)C)Br)OS(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C26H25BrN2O7S/c1-5-34-23-15-19(14-22(27)24(23)36-37(31,32)21-12-6-16(2)7-13-21)26-29(17(3)30)28-25(35-26)18-8-10-20(33-4)11-9-18/h6-15,26H,5H2,1-4H3