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

Systemtic Name: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoate Openeye Name: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 2-[(2-methylthiazol-4-yl)methylsulfanyl]benzoate CAS Name: 2-[(2-methyl-4-thiazolyl)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-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoate Traditional Name: 2-[(2-methylthiazol-4-yl)methylthio]benzoic acid (3-phenyl-1,2,4-oxadiazol-5-yl)methyl ester Formula: C21H17N3O3S2 MolecularWeight: 423.50798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)CSC2=CC=CC=C2C(=O)OCC3=NC(=NO3)C4=CC=CC=C4

Isomeric SMILES

CC1=NC(=CS1)CSC2=CC=CC=C2C(=O)OCC3=NC(=NO3)C4=CC=CC=C4

InChI

InChI=1S/C21H17N3O3S2/c1-14-22-16(12-28-14)13-29-18-10-6-5-9-17(18)21(25)26-11-19-23-20(24-27-19)15-7-3-2-4-8-15/h2-10,12H,11,13H2,1H3