[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]methyl 2,6-dimethoxybenzoate

Systemtic Name: [4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]methyl 2,6-dimethoxybenzoate Openeye Name: [4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]methyl 2,6-dimethoxybenzoate CAS Name: 2,6-dimethoxybenzoic acid [4-[(4,6-dimethyl-2-pyrimidinyl)thio]phenyl]methyl ester IUPAC Name: [4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]methyl 2,6-dimethoxybenzoate Traditional Name: 2,6-dimethoxybenzoic acid [4-[(4,6-dimethylpyrimidin-2-yl)thio]benzyl] ester Formula: C22H22N2O4S MolecularWeight: 410.48608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC2=CC=C(C=C2)COC(=O)C3=C(C=CC=C3OC)OC)C

Isomeric SMILES

CC1=CC(=NC(=N1)SC2=CC=C(C=C2)COC(=O)C3=C(C=CC=C3OC)OC)C

InChI

InChI=1S/C22H22N2O4S/c1-14-12-15(2)24-22(23-14)29-17-10-8-16(9-11-17)13-28-21(25)20-18(26-3)6-5-7-19(20)27-4/h5-12H,13H2,1-4H3