2-[(2S)-1-(4-ethoxyphenyl)-1-oxidanylidene-propan-2-yl]sulfanyl-6-methyl-pyrimidin-4-olate

Systemtic Name: 2-[(2S)-1-(4-ethoxyphenyl)-1-oxidanylidene-propan-2-yl]sulfanyl-6-methyl-pyrimidin-4-olate Openeye Name: 2-[(1S)-2-(4-ethoxyphenyl)-1-methyl-2-oxo-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate CAS Name: 2-[[(2S)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl]thio]-6-methyl-4-pyrimidinolate IUPAC Name: 2-[(2S)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl]sulfanyl-6-methylpyrimidin-4-olate Traditional Name: 2-[[(1S)-2-keto-1-methyl-2-p-phenetyl-ethyl]thio]-6-methyl-pyrimidin-4-olate Formula: C16H17N2O3S- MolecularWeight: 317.38278

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)C(C)SC2=NC(=CC(=N2)[O-])C

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)[C@H](C)SC2=NC(=CC(=N2)[O-])C

InChI

InChI=1S/C16H18N2O3S/c1-4-21-13-7-5-12(6-8-13)15(20)11(3)22-16-17-10(2)9-14(19)18-16/h5-9,11H,4H2,1-3H3,(H,17,18,19)/p-1/t11-/m0/s1