(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoate

Systemtic Name: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoate Openeye Name: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 2-[(5-methylisoxazol-3-yl)methylsulfanyl]benzoate CAS Name: 2-[(5-methyl-3-isoxazolyl)methylthio]benzoic acid (3-phenyl-1,2,4-oxadiazol-5-yl)methyl ester IUPAC Name: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoate Traditional Name: 2-[(5-methylisoxazol-3-yl)methylthio]benzoic acid (3-phenyl-1,2,4-oxadiazol-5-yl)methyl ester Formula: C21H17N3O4S MolecularWeight: 407.44238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)CSC2=CC=CC=C2C(=O)OCC3=NC(=NO3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=NO1)CSC2=CC=CC=C2C(=O)OCC3=NC(=NO3)C4=CC=CC=C4

InChI

InChI=1S/C21H17N3O4S/c1-14-11-16(23-27-14)13-29-18-10-6-5-9-17(18)21(25)26-12-19-22-20(24-28-19)15-7-3-2-4-8-15/h2-11H,12-13H2,1H3