ethyl 3-thiophen-2-yl-7-[3-(trifluoromethyl)phenyl]carbonyl-pyrrolo[1,2-c]pyrimidine-5-carboxylate

Systemtic Name: ethyl 3-thiophen-2-yl-7-[3-(trifluoromethyl)phenyl]carbonyl-pyrrolo[1,2-c]pyrimidine-5-carboxylate Openeye Name: ethyl 3-(2-thienyl)-7-[3-(trifluoromethyl)benzoyl]pyrrolo[1,2-c]pyrimidine-5-carboxylate CAS Name: 7-[oxo-[3-(trifluoromethyl)phenyl]methyl]-3-thiophen-2-yl-5-pyrrolo[1,2-c]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-thiophen-2-yl-7-[3-(trifluoromethyl)benzoyl]pyrrolo[1,2-c]pyrimidine-5-carboxylate Traditional Name: 3-(2-thienyl)-7-[3-(trifluoromethyl)benzoyl]pyrrolo[1,2-c]pyrimidine-5-carboxylic acid ethyl ester Formula: C22H15F3N2O3S MolecularWeight: 444.42631

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2C=C(N=CN2C(=C1)C(=O)C3=CC(=CC=C3)C(F)(F)F)C4=CC=CS4

Isomeric SMILES

CCOC(=O)C1=C2C=C(N=CN2C(=C1)C(=O)C3=CC(=CC=C3)C(F)(F)F)C4=CC=CS4

InChI

InChI=1S/C22H15F3N2O3S/c1-2-30-21(29)15-10-18(20(28)13-5-3-6-14(9-13)22(23,24)25)27-12-26-16(11-17(15)27)19-7-4-8-31-19/h3-12H,2H2,1H3