ethyl 3-(4-bromophenyl)-7-thiophen-2-ylcarbonyl-pyrrolo[1,2-c]pyrimidine-5-carboxylate

Systemtic Name: ethyl 3-(4-bromophenyl)-7-thiophen-2-ylcarbonyl-pyrrolo[1,2-c]pyrimidine-5-carboxylate Openeye Name: ethyl 3-(4-bromophenyl)-7-(thiophene-2-carbonyl)pyrrolo[1,2-c]pyrimidine-5-carboxylate CAS Name: 3-(4-bromophenyl)-7-[oxo(thiophen-2-yl)methyl]-5-pyrrolo[1,2-c]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(4-bromophenyl)-7-(thiophene-2-carbonyl)pyrrolo[1,2-c]pyrimidine-5-carboxylate Traditional Name: 3-(4-bromophenyl)-7-(2-thenoyl)pyrrolo[1,2-c]pyrimidine-5-carboxylic acid ethyl ester Formula: C21H15BrN2O3S MolecularWeight: 455.3244

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2C=C(N=CN2C(=C1)C(=O)C3=CC=CS3)C4=CC=C(C=C4)Br

Isomeric SMILES

CCOC(=O)C1=C2C=C(N=CN2C(=C1)C(=O)C3=CC=CS3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C21H15BrN2O3S/c1-2-27-21(26)15-10-18(20(25)19-4-3-9-28-19)24-12-23-16(11-17(15)24)13-5-7-14(22)8-6-13/h3-12H,2H2,1H3