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

Systemtic Name: ethyl 7-(2-nitrophenyl)carbonyl-3-thiophen-2-yl-pyrrolo[1,2-c]pyrimidine-5-carboxylate Openeye Name: ethyl 7-(2-nitrobenzoyl)-3-(2-thienyl)pyrrolo[1,2-c]pyrimidine-5-carboxylate CAS Name: 7-[(2-nitrophenyl)-oxomethyl]-3-thiophen-2-yl-5-pyrrolo[1,2-c]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 7-(2-nitrobenzoyl)-3-thiophen-2-ylpyrrolo[1,2-c]pyrimidine-5-carboxylate Traditional Name: 7-(2-nitrobenzoyl)-3-(2-thienyl)pyrrolo[1,2-c]pyrimidine-5-carboxylic acid ethyl ester Formula: C21H15N3O5S MolecularWeight: 421.4259

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2C=C(N=CN2C(=C1)C(=O)C3=CC=CC=C3[N+](=O)[O-])C4=CC=CS4

Isomeric SMILES

CCOC(=O)C1=C2C=C(N=CN2C(=C1)C(=O)C3=CC=CC=C3[N+](=O)[O-])C4=CC=CS4

InChI

InChI=1S/C21H15N3O5S/c1-2-29-21(26)14-10-18(20(25)13-6-3-4-7-16(13)24(27)28)23-12-22-15(11-17(14)23)19-8-5-9-30-19/h3-12H,2H2,1H3