(2S)-2-[4-(4-methoxyphenyl)pyrimidin-2-yl]sulfanyl-2-phenyl-ethanoic acid

Systemtic Name: (2S)-2-[4-(4-methoxyphenyl)pyrimidin-2-yl]sulfanyl-2-phenyl-ethanoic acid Openeye Name: (2S)-2-[4-(4-methoxyphenyl)pyrimidin-2-yl]sulfanyl-2-phenyl-acetic acid CAS Name: (2S)-2-[[4-(4-methoxyphenyl)-2-pyrimidinyl]thio]-2-phenylacetic acid IUPAC Name: (2S)-2-[4-(4-methoxyphenyl)pyrimidin-2-yl]sulfanyl-2-phenylacetic acid Traditional Name: (2S)-2-[[4-(4-methoxyphenyl)pyrimidin-2-yl]thio]-2-phenyl-acetic acid Formula: C19H16N2O3S MolecularWeight: 352.40694

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=NC=C2)SC(C3=CC=CC=C3)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=NC=C2)S[C@@H](C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C19H16N2O3S/c1-24-15-9-7-13(8-10-15)16-11-12-20-19(21-16)25-17(18(22)23)14-5-3-2-4-6-14/h2-12,17H,1H3,(H,22,23)/t17-/m0/s1