ethyl 2-[6-methyl-5-[(1S)-1-oxidanylethyl]-2-phenyl-pyrimidin-4-yl]sulfanylethanoate

Systemtic Name: ethyl 2-[6-methyl-5-[(1S)-1-oxidanylethyl]-2-phenyl-pyrimidin-4-yl]sulfanylethanoate Openeye Name: ethyl 2-[5-[(1S)-1-hydroxyethyl]-6-methyl-2-phenyl-pyrimidin-4-yl]sulfanylacetate CAS Name: 2-[[5-[(1S)-1-hydroxyethyl]-6-methyl-2-phenyl-4-pyrimidinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[5-[(1S)-1-hydroxyethyl]-6-methyl-2-phenylpyrimidin-4-yl]sulfanylacetate Traditional Name: 2-[[5-[(1S)-1-hydroxyethyl]-6-methyl-2-phenyl-pyrimidin-4-yl]thio]acetic acid ethyl ester Formula: C17H20N2O3S MolecularWeight: 332.4173

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC(=NC(=C1C(C)O)C)C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)CSC1=NC(=NC(=C1[C@H](C)O)C)C2=CC=CC=C2

InChI

InChI=1S/C17H20N2O3S/c1-4-22-14(21)10-23-17-15(12(3)20)11(2)18-16(19-17)13-8-6-5-7-9-13/h5-9,12,20H,4,10H2,1-3H3/t12-/m0/s1