methyl 5-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-phenylmethoxy-benzoate

Systemtic Name: methyl 5-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-phenylmethoxy-benzoate Openeye Name: methyl 2-benzyloxy-5-(4,6-dimethylpyrimidin-2-yl)sulfanyl-benzoate CAS Name: 5-[(4,6-dimethyl-2-pyrimidinyl)thio]-2-phenylmethoxybenzoic acid methyl ester IUPAC Name: methyl 5-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-phenylmethoxybenzoate Traditional Name: 2-benzoxy-5-[(4,6-dimethylpyrimidin-2-yl)thio]benzoic acid methyl ester Formula: C21H20N2O3S MolecularWeight: 380.4601

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC2=CC(=C(C=C2)OCC3=CC=CC=C3)C(=O)OC)C

Isomeric SMILES

CC1=CC(=NC(=N1)SC2=CC(=C(C=C2)OCC3=CC=CC=C3)C(=O)OC)C

InChI

InChI=1S/C21H20N2O3S/c1-14-11-15(2)23-21(22-14)27-17-9-10-19(18(12-17)20(24)25-3)26-13-16-7-5-4-6-8-16/h4-12H,13H2,1-3H3