(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-(1,3-benzoxazol-2-ylsulfanylmethyl)benzoate

Systemtic Name: (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-(1,3-benzoxazol-2-ylsulfanylmethyl)benzoate Openeye Name: (3,5-dimethylisoxazol-4-yl)methyl 2-(1,3-benzoxazol-2-ylsulfanylmethyl)benzoate CAS Name: 2-[(1,3-benzoxazol-2-ylthio)methyl]benzoic acid (3,5-dimethyl-4-isoxazolyl)methyl ester IUPAC Name: (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-(1,3-benzoxazol-2-ylsulfanylmethyl)benzoate Traditional Name: 2-[(1,3-benzoxazol-2-ylthio)methyl]benzoic acid (3,5-dimethylisoxazol-4-yl)methyl ester Formula: C21H18N2O4S MolecularWeight: 394.44362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)COC(=O)C2=CC=CC=C2CSC3=NC4=CC=CC=C4O3

Isomeric SMILES

CC1=C(C(=NO1)C)COC(=O)C2=CC=CC=C2CSC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C21H18N2O4S/c1-13-17(14(2)27-23-13)11-25-20(24)16-8-4-3-7-15(16)12-28-21-22-18-9-5-6-10-19(18)26-21/h3-10H,11-12H2,1-2H3