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

Systemtic Name: (2S)-2-[(5-methyl-6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-2-phenyl-ethanoate Openeye Name: (2S)-2-[(5-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-2-phenyl-acetate CAS Name: (2S)-2-[(5-methyl-6-oxo-1H-pyrimidin-2-yl)thio]-2-phenylacetate IUPAC Name: (2S)-2-[(5-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-2-phenylacetate Traditional Name: (2S)-2-[(6-keto-5-methyl-1H-pyrimidin-2-yl)thio]-2-phenyl-acetate Formula: C13H11N2O3S- MolecularWeight: 275.30304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(NC1=O)SC(C2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

CC1=CN=C(NC1=O)S[C@@H](C2=CC=CC=C2)C(=O)[O-]

InChI

InChI=1S/C13H12N2O3S/c1-8-7-14-13(15-11(8)16)19-10(12(17)18)9-5-3-2-4-6-9/h2-7,10H,1H3,(H,17,18)(H,14,15,16)/p-1/t10-/m0/s1