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

Systemtic Name: ethyl 7-(4-methoxyphenyl)-2-oxidanylidene-3-[(4-phenylmethoxyphenyl)methylidene]-4-sulfanylidene-1H-pyrrolo[1,2-a]pyrimidine-8-carboxylate Openeye Name: ethyl 3-[(4-benzyloxyphenyl)methylene]-7-(4-methoxyphenyl)-2-oxo-4-thioxo-1H-pyrrolo[1,2-a]pyrimidine-8-carboxylate CAS Name: 7-(4-methoxyphenyl)-2-oxo-3-[(4-phenylmethoxyphenyl)methylidene]-4-sulfanylidene-1H-pyrrolo[1,2-a]pyrimidine-8-carboxylic acid ethyl ester IUPAC Name: ethyl 7-(4-methoxyphenyl)-2-oxo-3-[(4-phenylmethoxyphenyl)methylidene]-4-sulfanylidene-1H-pyrrolo[1,2-a]pyrimidine-8-carboxylate Traditional Name: 3-(4-benzoxybenzylidene)-2-keto-7-(4-methoxyphenyl)-4-thioxo-1H-pyrrolo[1,2-a]pyrimidine-8-carboxylic acid ethyl ester Formula: C31H26N2O5S MolecularWeight: 538.61354

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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)OC

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)OC

InChI

InChI=1S/C31H26N2O5S/c1-3-37-31(35)27-26(22-11-15-23(36-2)16-12-22)18-33-28(27)32-29(34)25(30(33)39)17-20-9-13-24(14-10-20)38-19-21-7-5-4-6-8-21/h4-18H,3,19H2,1-2H3,(H,32,34)