(2R)-2-phenyl-2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-ethanoic acid

Systemtic Name: (2R)-2-phenyl-2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-ethanoic acid Openeye Name: (2R)-2-phenyl-2-[4-(2-thienyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-acetic acid CAS Name: (2R)-2-phenyl-2-[[4-thiophen-2-yl-6-(trifluoromethyl)-2-pyrimidinyl]thio]acetic acid IUPAC Name: (2R)-2-phenyl-2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetic acid Traditional Name: (2R)-2-phenyl-2-[[4-(2-thienyl)-6-(trifluoromethyl)pyrimidin-2-yl]thio]acetic acid Formula: C17H11F3N2O2S2 MolecularWeight: 396.40665

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)O)SC2=NC(=CC(=N2)C(F)(F)F)C3=CC=CS3

Isomeric SMILES

C1=CC=C(C=C1)[C@H](C(=O)O)SC2=NC(=CC(=N2)C(F)(F)F)C3=CC=CS3

InChI

InChI=1S/C17H11F3N2O2S2/c18-17(19,20)13-9-11(12-7-4-8-25-12)21-16(22-13)26-14(15(23)24)10-5-2-1-3-6-10/h1-9,14H,(H,23,24)/t14-/m1/s1