1,3-benzoxazol-2-ylmethyl 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzoate

Systemtic Name: 1,3-benzoxazol-2-ylmethyl 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzoate Openeye Name: 1,3-benzoxazol-2-ylmethyl 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzoate CAS Name: 2-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]benzoic acid 1,3-benzoxazol-2-ylmethyl ester IUPAC Name: 1,3-benzoxazol-2-ylmethyl 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzoate Traditional Name: 2-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]benzoic acid 1,3-benzoxazol-2-ylmethyl ester Formula: C22H19N3O3S MolecularWeight: 405.46956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=CC=CC=C2C(=O)OCC3=NC4=CC=CC=C4O3)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=CC=CC=C2C(=O)OCC3=NC4=CC=CC=C4O3)C

InChI

InChI=1S/C22H19N3O3S/c1-14-11-15(2)24-22(23-14)29-13-16-7-3-4-8-17(16)21(26)27-12-20-25-18-9-5-6-10-19(18)28-20/h3-11H,12-13H2,1-2H3