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

Systemtic Name: ethyl 3,5-dimethyl-4-[2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylethanoyl]-1H-pyrrole-2-carboxylate Openeye Name: ethyl 3,5-dimethyl-4-[2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylacetyl]-1H-pyrrole-2-carboxylate CAS Name: 3,5-dimethyl-4-[1-oxo-2-[[2-(trifluoromethyl)-4-quinazolinyl]thio]ethyl]-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3,5-dimethyl-4-[2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylacetyl]-1H-pyrrole-2-carboxylate Traditional Name: 3,5-dimethyl-4-[2-[[2-(trifluoromethyl)quinazolin-4-yl]thio]acetyl]-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C20H18F3N3O3S MolecularWeight: 437.43543

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)C(=O)CSC2=NC(=NC3=CC=CC=C32)C(F)(F)F)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)C(=O)CSC2=NC(=NC3=CC=CC=C32)C(F)(F)F)C

InChI

InChI=1S/C20H18F3N3O3S/c1-4-29-18(28)16-10(2)15(11(3)24-16)14(27)9-30-17-12-7-5-6-8-13(12)25-19(26-17)20(21,22)23/h5-8,24H,4,9H2,1-3H3