ethyl 2,4-dimethyl-5-[2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylpropanoyl]-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 2,4-dimethyl-5-[2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylpropanoyl]-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2,4-dimethyl-5-[2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylpropanoyl]-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[1-oxo-2-[[2-(trifluoromethyl)-4-quinazolinyl]thio]propyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,4-dimethyl-5-[2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylpropanoyl]-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-[2-[[2-(trifluoromethyl)quinazolin-4-yl]thio]propanoyl]-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C21H20F3N3O3S MolecularWeight: 451.46201

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)C(C)SC2=NC(=NC3=CC=CC=C32)C(F)(F)F)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)C(C)SC2=NC(=NC3=CC=CC=C32)C(F)(F)F)C

InChI

InChI=1S/C21H20F3N3O3S/c1-5-30-19(29)15-10(2)16(25-11(15)3)17(28)12(4)31-18-13-8-6-7-9-14(13)26-20(27-18)21(22,23)24/h6-9,12,25H,5H2,1-4H3