(2R)-2-[2-[(1S)-2-oxidanyl-2-oxidanylidene-1-phenyl-ethyl]sulfanylpyrimidin-4-yl]sulfanyl-2-phenyl-ethanoic acid

Systemtic Name: (2R)-2-[2-[(1S)-2-oxidanyl-2-oxidanylidene-1-phenyl-ethyl]sulfanylpyrimidin-4-yl]sulfanyl-2-phenyl-ethanoic acid Openeye Name: (2R)-2-[2-[(1S)-2-hydroxy-2-oxo-1-phenyl-ethyl]sulfanylpyrimidin-4-yl]sulfanyl-2-phenyl-acetic acid CAS Name: (2R)-2-[[2-[[(1S)-2-hydroxy-2-oxo-1-phenylethyl]thio]-4-pyrimidinyl]thio]-2-phenylacetic acid IUPAC Name: (2R)-2-[2-[(1S)-2-hydroxy-2-oxo-1-phenylethyl]sulfanylpyrimidin-4-yl]sulfanyl-2-phenylacetic acid Traditional Name: (2R)-2-[[2-[[(1S)-2-hydroxy-2-keto-1-phenyl-ethyl]thio]pyrimidin-4-yl]thio]-2-phenyl-acetic acid Formula: C20H16N2O4S2 MolecularWeight: 412.48204

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)O)SC2=NC(=NC=C2)SC(C3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)[C@H](C(=O)O)SC2=NC(=NC=C2)S[C@@H](C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C20H16N2O4S2/c23-18(24)16(13-7-3-1-4-8-13)27-15-11-12-21-20(22-15)28-17(19(25)26)14-9-5-2-6-10-14/h1-12,16-17H,(H,23,24)(H,25,26)/t16-,17+/m1/s1