(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 2-(1,3-thiazol-4-ylmethylsulfanyl)benzoate

Systemtic Name: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 2-(1,3-thiazol-4-ylmethylsulfanyl)benzoate Openeye Name: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 2-(thiazol-4-ylmethylsulfanyl)benzoate CAS Name: 2-(4-thiazolylmethylthio)benzoic acid (3-phenyl-1,2,4-oxadiazol-5-yl)methyl ester IUPAC Name: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 2-(1,3-thiazol-4-ylmethylsulfanyl)benzoate Traditional Name: 2-(thiazol-4-ylmethylthio)benzoic acid (3-phenyl-1,2,4-oxadiazol-5-yl)methyl ester Formula: C20H15N3O3S2 MolecularWeight: 409.4814

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NOC(=N2)COC(=O)C3=CC=CC=C3SCC4=CSC=N4

Isomeric SMILES

C1=CC=C(C=C1)C2=NOC(=N2)COC(=O)C3=CC=CC=C3SCC4=CSC=N4

InChI

InChI=1S/C20H15N3O3S2/c24-20(16-8-4-5-9-17(16)28-12-15-11-27-13-21-15)25-10-18-22-19(23-26-18)14-6-2-1-3-7-14/h1-9,11,13H,10,12H2