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

Systemtic Name: ethyl 3-[(2-methoxyphenyl)methylidene]-7-(4-methylphenyl)-2-oxidanylidene-4-sulfanylidene-1H-pyrrolo[1,2-a]pyrimidine-8-carboxylate Openeye Name: ethyl 3-[(2-methoxyphenyl)methylene]-2-oxo-7-(p-tolyl)-4-thioxo-1H-pyrrolo[1,2-a]pyrimidine-8-carboxylate CAS Name: 3-[(2-methoxyphenyl)methylidene]-7-(4-methylphenyl)-2-oxo-4-sulfanylidene-1H-pyrrolo[1,2-a]pyrimidine-8-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[(2-methoxyphenyl)methylidene]-7-(4-methylphenyl)-2-oxo-4-sulfanylidene-1H-pyrrolo[1,2-a]pyrimidine-8-carboxylate Traditional Name: 2-keto-3-o-anisylidene-7-(p-tolyl)-4-thioxo-1H-pyrrolo[1,2-a]pyrimidine-8-carboxylic acid ethyl ester Formula: C25H22N2O4S MolecularWeight: 446.51818

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2NC(=O)C(=CC3=CC=CC=C3OC)C(=S)N2C=C1C4=CC=C(C=C4)C

Isomeric SMILES

CCOC(=O)C1=C2NC(=O)C(=CC3=CC=CC=C3OC)C(=S)N2C=C1C4=CC=C(C=C4)C

InChI

InChI=1S/C25H22N2O4S/c1-4-31-25(29)21-19(16-11-9-15(2)10-12-16)14-27-22(21)26-23(28)18(24(27)32)13-17-7-5-6-8-20(17)30-3/h5-14H,4H2,1-3H3,(H,26,28)