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

Systemtic Name: ethyl 7-(4-chlorophenyl)-3-(furan-2-ylmethylidene)-2-oxidanylidene-4-sulfanylidene-1H-pyrrolo[1,2-a]pyrimidine-8-carboxylate Openeye Name: ethyl 7-(4-chlorophenyl)-3-(2-furylmethylene)-2-oxo-4-thioxo-1H-pyrrolo[1,2-a]pyrimidine-8-carboxylate CAS Name: 7-(4-chlorophenyl)-3-(2-furanylmethylidene)-2-oxo-4-sulfanylidene-1H-pyrrolo[1,2-a]pyrimidine-8-carboxylic acid ethyl ester IUPAC Name: ethyl 7-(4-chlorophenyl)-3-(furan-2-ylmethylidene)-2-oxo-4-sulfanylidene-1H-pyrrolo[1,2-a]pyrimidine-8-carboxylate Traditional Name: 7-(4-chlorophenyl)-3-(2-furfurylidene)-2-keto-4-thioxo-1H-pyrrolo[1,2-a]pyrimidine-8-carboxylic acid ethyl ester Formula: C21H15ClN2O4S MolecularWeight: 426.8728

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2NC(=O)C(=CC3=CC=CO3)C(=S)N2C=C1C4=CC=C(C=C4)Cl

Isomeric SMILES

CCOC(=O)C1=C2NC(=O)C(=CC3=CC=CO3)C(=S)N2C=C1C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H15ClN2O4S/c1-2-27-21(26)17-16(12-5-7-13(22)8-6-12)11-24-18(17)23-19(25)15(20(24)29)10-14-4-3-9-28-14/h3-11H,2H2,1H3,(H,23,25)