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

Systemtic Name: ethyl 7-(2-chlorophenyl)carbonyl-3-thiophen-2-yl-pyrrolo[1,2-c]pyrimidine-5-carboxylate Openeye Name: ethyl 7-(2-chlorobenzoyl)-3-(2-thienyl)pyrrolo[1,2-c]pyrimidine-5-carboxylate CAS Name: 7-[(2-chlorophenyl)-oxomethyl]-3-thiophen-2-yl-5-pyrrolo[1,2-c]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 7-(2-chlorobenzoyl)-3-thiophen-2-ylpyrrolo[1,2-c]pyrimidine-5-carboxylate Traditional Name: 7-(2-chlorobenzoyl)-3-(2-thienyl)pyrrolo[1,2-c]pyrimidine-5-carboxylic acid ethyl ester Formula: C21H15ClN2O3S MolecularWeight: 410.8734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2C=C(N=CN2C(=C1)C(=O)C3=CC=CC=C3Cl)C4=CC=CS4

Isomeric SMILES

CCOC(=O)C1=C2C=C(N=CN2C(=C1)C(=O)C3=CC=CC=C3Cl)C4=CC=CS4

InChI

InChI=1S/C21H15ClN2O3S/c1-2-27-21(26)14-10-18(20(25)13-6-3-4-7-15(13)22)24-12-23-16(11-17(14)24)19-8-5-9-28-19/h3-12H,2H2,1H3