methyl 2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-3-phenyl-3-phenylmethoxy-butanoate

Systemtic Name: methyl 2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-3-phenyl-3-phenylmethoxy-butanoate Openeye Name: methyl 3-benzyloxy-2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-3-phenyl-butanoate CAS Name: 2-[(4,6-dimethoxy-2-pyrimidinyl)thio]-3-phenyl-3-phenylmethoxybutanoic acid methyl ester IUPAC Name: methyl 2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-3-phenyl-3-phenylmethoxybutanoate Traditional Name: 3-benzoxy-2-[(4,6-dimethoxypyrimidin-2-yl)thio]-3-phenyl-butyric acid methyl ester Formula: C24H26N2O5S MolecularWeight: 454.53864

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)(C(C(=O)OC)SC2=NC(=CC(=N2)OC)OC)OCC3=CC=CC=C3

Isomeric SMILES

CC(C1=CC=CC=C1)(C(C(=O)OC)SC2=NC(=CC(=N2)OC)OC)OCC3=CC=CC=C3

InChI

InChI=1S/C24H26N2O5S/c1-24(18-13-9-6-10-14-18,31-16-17-11-7-5-8-12-17)21(22(27)30-4)32-23-25-19(28-2)15-20(26-23)29-3/h5-15,21H,16H2,1-4H3