ethyl (2S)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-phenyl-ethanoate

Systemtic Name: ethyl (2S)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-phenyl-ethanoate Openeye Name: ethyl (2S)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-phenyl-acetate CAS Name: (2S)-2-[(4,6-dimethyl-2-pyrimidinyl)thio]-2-phenylacetic acid ethyl ester IUPAC Name: ethyl (2S)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-phenylacetate Traditional Name: (2S)-2-[(4,6-dimethylpyrimidin-2-yl)thio]-2-phenyl-acetic acid ethyl ester Formula: C16H18N2O2S MolecularWeight: 302.39132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O2S/c1-4-20-15(19)14(13-8-6-5-7-9-13)21-16-17-11(2)10-12(3)18-16/h5-10,14H,4H2,1-3H3/t14-/m0/s1