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

Systemtic Name: ethyl 7-(4-methylphenyl)-2-oxidanylidene-4-sulfanylidene-3-(thiophen-2-ylmethylidene)-1H-pyrrolo[1,2-a]pyrimidine-8-carboxylate Openeye Name: ethyl 2-oxo-7-(p-tolyl)-3-(2-thienylmethylene)-4-thioxo-1H-pyrrolo[1,2-a]pyrimidine-8-carboxylate CAS Name: 7-(4-methylphenyl)-2-oxo-4-sulfanylidene-3-(thiophen-2-ylmethylidene)-1H-pyrrolo[1,2-a]pyrimidine-8-carboxylic acid ethyl ester IUPAC Name: ethyl 7-(4-methylphenyl)-2-oxo-4-sulfanylidene-3-(thiophen-2-ylmethylidene)-1H-pyrrolo[1,2-a]pyrimidine-8-carboxylate Traditional Name: 2-keto-7-(p-tolyl)-3-(2-thenylidene)-4-thioxo-1H-pyrrolo[1,2-a]pyrimidine-8-carboxylic acid ethyl ester Formula: C22H18N2O3S2 MolecularWeight: 422.51992

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2NC(=O)C(=CC3=CC=CS3)C(=S)N2C=C1C4=CC=C(C=C4)C

Isomeric SMILES

CCOC(=O)C1=C2NC(=O)C(=CC3=CC=CS3)C(=S)N2C=C1C4=CC=C(C=C4)C

InChI

InChI=1S/C22H18N2O3S2/c1-3-27-22(26)18-17(14-8-6-13(2)7-9-14)12-24-19(18)23-20(25)16(21(24)28)11-15-5-4-10-29-15/h4-12H,3H2,1-2H3,(H,23,25)