ethyl 3-[(3-nitrophenyl)methylidene]-2-oxidanylidene-7-phenyl-4-sulfanylidene-1H-pyrrolo[1,2-a]pyrimidine-8-carboxylate

Systemtic Name: ethyl 3-[(3-nitrophenyl)methylidene]-2-oxidanylidene-7-phenyl-4-sulfanylidene-1H-pyrrolo[1,2-a]pyrimidine-8-carboxylate Openeye Name: ethyl 3-[(3-nitrophenyl)methylene]-2-oxo-7-phenyl-4-thioxo-1H-pyrrolo[1,2-a]pyrimidine-8-carboxylate CAS Name: 3-[(3-nitrophenyl)methylidene]-2-oxo-7-phenyl-4-sulfanylidene-1H-pyrrolo[1,2-a]pyrimidine-8-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[(3-nitrophenyl)methylidene]-2-oxo-7-phenyl-4-sulfanylidene-1H-pyrrolo[1,2-a]pyrimidine-8-carboxylate Traditional Name: 2-keto-3-(3-nitrobenzylidene)-7-phenyl-4-thioxo-1H-pyrrolo[1,2-a]pyrimidine-8-carboxylic acid ethyl ester Formula: C23H17N3O5S MolecularWeight: 447.46318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2NC(=O)C(=CC3=CC(=CC=C3)[N+](=O)[O-])C(=S)N2C=C1C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C2NC(=O)C(=CC3=CC(=CC=C3)[N+](=O)[O-])C(=S)N2C=C1C4=CC=CC=C4

InChI

InChI=1S/C23H17N3O5S/c1-2-31-23(28)19-18(15-8-4-3-5-9-15)13-25-20(19)24-21(27)17(22(25)32)12-14-7-6-10-16(11-14)26(29)30/h3-13H,2H2,1H3,(H,24,27)