ethyl (2S)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-2-phenyl-ethanoate

Systemtic Name: ethyl (2S)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-2-phenyl-ethanoate Openeye Name: ethyl (2S)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-2-phenyl-acetate CAS Name: (2S)-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]-2-phenylacetic acid ethyl ester IUPAC Name: ethyl (2S)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-2-phenylacetate Traditional Name: (2S)-2-[(4-methyl-6-phenyl-pyrimidin-2-yl)thio]-2-phenyl-acetic acid ethyl ester Formula: C21H20N2O2S MolecularWeight: 364.4607

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=CC=CC=C1)SC2=NC(=CC(=N2)C)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@H](C1=CC=CC=C1)SC2=NC(=CC(=N2)C)C3=CC=CC=C3

InChI

InChI=1S/C21H20N2O2S/c1-3-25-20(24)19(17-12-8-5-9-13-17)26-21-22-15(2)14-18(23-21)16-10-6-4-7-11-16/h4-14,19H,3H2,1-2H3/t19-/m0/s1