methyl 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3,3-diphenyl-butanoate

Systemtic Name: methyl 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3,3-diphenyl-butanoate Openeye Name: methyl 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3,3-diphenyl-butanoate CAS Name: 2-[(4,6-dimethyl-2-pyrimidinyl)thio]-3,3-diphenylbutanoic acid methyl ester IUPAC Name: methyl 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3,3-diphenylbutanoate Traditional Name: 2-[(4,6-dimethylpyrimidin-2-yl)thio]-3,3-diphenyl-butyric acid methyl ester Formula: C23H24N2O2S MolecularWeight: 392.51386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24N2O2S/c1-16-15-17(2)25-22(24-16)28-20(21(26)27-4)23(3,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-15,20H,1-4H3