(2R)-2-[(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-2-phenyl-ethanoate

Systemtic Name: (2R)-2-[(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-2-phenyl-ethanoate Openeye Name: (2R)-2-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-2-phenyl-acetate CAS Name: (2R)-2-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)thio]-2-phenylacetate IUPAC Name: (2R)-2-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-2-phenylacetate Traditional Name: (2R)-2-[(4-keto-6-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=CC(=O)N=C(N1)SC(C2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

CC1=CC(=O)N=C(N1)S[C@H](C2=CC=CC=C2)C(=O)[O-]

InChI

InChI=1S/C13H12N2O3S/c1-8-7-10(16)15-13(14-8)19-11(12(17)18)9-5-3-2-4-6-9/h2-7,11H,1H3,(H,17,18)(H,14,15,16)/p-1/t11-/m1/s1