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

Systemtic Name: ethyl 7-(4-methylphenyl)-2-oxidanylidene-3-[(4-phenylmethoxyphenyl)methylidene]-4-sulfanylidene-1H-pyrrolo[1,2-a]pyrimidine-8-carboxylate Openeye Name: ethyl 3-[(4-benzyloxyphenyl)methylene]-2-oxo-7-(p-tolyl)-4-thioxo-1H-pyrrolo[1,2-a]pyrimidine-8-carboxylate CAS Name: 7-(4-methylphenyl)-2-oxo-3-[(4-phenylmethoxyphenyl)methylidene]-4-sulfanylidene-1H-pyrrolo[1,2-a]pyrimidine-8-carboxylic acid ethyl ester IUPAC Name: ethyl 7-(4-methylphenyl)-2-oxo-3-[(4-phenylmethoxyphenyl)methylidene]-4-sulfanylidene-1H-pyrrolo[1,2-a]pyrimidine-8-carboxylate Traditional Name: 3-(4-benzoxybenzylidene)-2-keto-7-(p-tolyl)-4-thioxo-1H-pyrrolo[1,2-a]pyrimidine-8-carboxylic acid ethyl ester Formula: C31H26N2O4S MolecularWeight: 522.61414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2NC(=O)C(=CC3=CC=C(C=C3)OCC4=CC=CC=C4)C(=S)N2C=C1C5=CC=C(C=C5)C

Isomeric SMILES

CCOC(=O)C1=C2NC(=O)C(=CC3=CC=C(C=C3)OCC4=CC=CC=C4)C(=S)N2C=C1C5=CC=C(C=C5)C

InChI

InChI=1S/C31H26N2O4S/c1-3-36-31(35)27-26(23-13-9-20(2)10-14-23)18-33-28(27)32-29(34)25(30(33)38)17-21-11-15-24(16-12-21)37-19-22-7-5-4-6-8-22/h4-18H,3,19H2,1-2H3,(H,32,34)