diethyl 7-(phenylcarbonyl)-3-thiophen-2-yl-pyrrolo[1,2-c]pyrimidine-5,6-dicarboxylate

Systemtic Name: diethyl 7-(phenylcarbonyl)-3-thiophen-2-yl-pyrrolo[1,2-c]pyrimidine-5,6-dicarboxylate Openeye Name: diethyl 7-benzoyl-3-(2-thienyl)pyrrolo[1,2-c]pyrimidine-5,6-dicarboxylate CAS Name: 7-benzoyl-3-thiophen-2-ylpyrrolo[1,2-c]pyrimidine-5,6-dicarboxylic acid diethyl ester IUPAC Name: diethyl 7-benzoyl-3-thiophen-2-ylpyrrolo[1,2-c]pyrimidine-5,6-dicarboxylate Traditional Name: 7-benzoyl-3-(2-thienyl)pyrrolo[1,2-c]pyrimidine-5,6-dicarboxylic acid diethyl ester Formula: C24H20N2O5S MolecularWeight: 448.491

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2C=C(N=CN2C(=C1C(=O)OCC)C(=O)C3=CC=CC=C3)C4=CC=CS4

Isomeric SMILES

CCOC(=O)C1=C2C=C(N=CN2C(=C1C(=O)OCC)C(=O)C3=CC=CC=C3)C4=CC=CS4

InChI

InChI=1S/C24H20N2O5S/c1-3-30-23(28)19-17-13-16(18-11-8-12-32-18)25-14-26(17)21(20(19)24(29)31-4-2)22(27)15-9-6-5-7-10-15/h5-14H,3-4H2,1-2H3