(2S)-N-(4-ethoxy-2-nitro-phenyl)-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-propanamide

Systemtic Name: (2S)-N-(4-ethoxy-2-nitro-phenyl)-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-propanamide Openeye Name: (2S)-N-(4-ethoxy-2-nitro-phenyl)-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-propanamide CAS Name: (2S)-N-(4-ethoxy-2-nitrophenyl)-2-[[4-phenyl-6-(trifluoromethyl)-2-pyrimidinyl]thio]propanamide IUPAC Name: (2S)-N-(4-ethoxy-2-nitrophenyl)-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanamide Traditional Name: (2S)-N-(4-ethoxy-2-nitro-phenyl)-2-[[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]thio]propionamide Formula: C22H19F3N4O4S MolecularWeight: 492.47087

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)NC(=O)C(C)SC2=NC(=CC(=N2)C(F)(F)F)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC(=C(C=C1)NC(=O)[C@H](C)SC2=NC(=CC(=N2)C(F)(F)F)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H19F3N4O4S/c1-3-33-15-9-10-16(18(11-15)29(31)32)26-20(30)13(2)34-21-27-17(14-7-5-4-6-8-14)12-19(28-21)22(23,24)25/h4-13H,3H2,1-2H3,(H,26,30)/t13-/m0/s1