(2S)-2-[[(4S)-4-methyl-6-oxidanylidene-4,5-dihydro-1H-pyrimidin-2-yl]sulfanyl]-2-phenyl-ethanoate

Systemtic Name: (2S)-2-[[(4S)-4-methyl-6-oxidanylidene-4,5-dihydro-1H-pyrimidin-2-yl]sulfanyl]-2-phenyl-ethanoate Openeye Name: (2S)-2-[[(4S)-4-methyl-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]sulfanyl]-2-phenyl-acetate CAS Name: (2S)-2-[[(4S)-4-methyl-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]thio]-2-phenylacetate IUPAC Name: (2S)-2-[[(4S)-4-methyl-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]sulfanyl]-2-phenylacetate Traditional Name: (2S)-2-[[(4S)-6-keto-4-methyl-4,5-dihydro-1H-pyrimidin-2-yl]thio]-2-phenyl-acetate Formula: C13H13N2O3S- MolecularWeight: 277.31892

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NC(=N1)SC(C2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

C[C@H]1CC(=O)NC(=N1)S[C@@H](C2=CC=CC=C2)C(=O)[O-]

InChI

InChI=1S/C13H14N2O3S/c1-8-7-10(16)15-13(14-8)19-11(12(17)18)9-5-3-2-4-6-9/h2-6,8,11H,7H2,1H3,(H,17,18)(H,14,15,16)/p-1/t8-,11-/m0/s1