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

Systemtic Name: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzoate Openeye Name: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 2-[(4-methylthiazol-2-yl)sulfanylmethyl]benzoate CAS Name: 2-[[(4-methyl-2-thiazolyl)thio]methyl]benzoic acid (3-phenyl-1,2,4-oxadiazol-5-yl)methyl ester IUPAC Name: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzoate Traditional Name: 2-[[(4-methylthiazol-2-yl)thio]methyl]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=CSC(=N1)SCC2=CC=CC=C2C(=O)OCC3=NC(=NO3)C4=CC=CC=C4

Isomeric SMILES

CC1=CSC(=N1)SCC2=CC=CC=C2C(=O)OCC3=NC(=NO3)C4=CC=CC=C4

InChI

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