(2R)-2-[6-methyl-2-[(1S)-2-oxidanyl-2-oxidanylidene-1-phenyl-ethyl]sulfanyl-pyrimidin-4-yl]sulfanyl-2-phenyl-ethanoic acid

Systemtic Name: (2R)-2-[6-methyl-2-[(1S)-2-oxidanyl-2-oxidanylidene-1-phenyl-ethyl]sulfanyl-pyrimidin-4-yl]sulfanyl-2-phenyl-ethanoic acid Openeye Name: (2R)-2-[2-[(1S)-2-hydroxy-2-oxo-1-phenyl-ethyl]sulfanyl-6-methyl-pyrimidin-4-yl]sulfanyl-2-phenyl-acetic acid CAS Name: (2R)-2-[[2-[[(1S)-2-hydroxy-2-oxo-1-phenylethyl]thio]-6-methyl-4-pyrimidinyl]thio]-2-phenylacetic acid IUPAC Name: (2R)-2-[2-[(1S)-2-hydroxy-2-oxo-1-phenylethyl]sulfanyl-6-methylpyrimidin-4-yl]sulfanyl-2-phenylacetic acid Traditional Name: (2R)-2-[[2-[[(1S)-2-hydroxy-2-keto-1-phenyl-ethyl]thio]-6-methyl-pyrimidin-4-yl]thio]-2-phenyl-acetic acid Formula: C21H18N2O4S2 MolecularWeight: 426.50862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC(C2=CC=CC=C2)C(=O)O)SC(C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC1=CC(=NC(=N1)S[C@@H](C2=CC=CC=C2)C(=O)O)S[C@H](C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C21H18N2O4S2/c1-13-12-16(28-17(19(24)25)14-8-4-2-5-9-14)23-21(22-13)29-18(20(26)27)15-10-6-3-7-11-15/h2-12,17-18H,1H3,(H,24,25)(H,26,27)/t17-,18+/m1/s1