ethyl 4-[5-[3-(4-chlorophenyl)-5-cyano-6-oxidanylidene-4-sulfanyl-1,2-dihydropyrimidin-2-yl]furan-2-yl]benzoate

Systemtic Name: ethyl 4-[5-[3-(4-chlorophenyl)-5-cyano-6-oxidanylidene-4-sulfanyl-1,2-dihydropyrimidin-2-yl]furan-2-yl]benzoate Openeye Name: ethyl 4-[5-[3-(4-chlorophenyl)-5-cyano-6-oxo-4-sulfanyl-1,2-dihydropyrimidin-2-yl]-2-furyl]benzoate CAS Name: 4-[5-[3-(4-chlorophenyl)-5-cyano-4-mercapto-6-oxo-1,2-dihydropyrimidin-2-yl]-2-furanyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[5-[3-(4-chlorophenyl)-5-cyano-6-oxo-4-sulfanyl-1,2-dihydropyrimidin-2-yl]furan-2-yl]benzoate Traditional Name: 4-[5-[3-(4-chlorophenyl)-5-cyano-6-keto-4-mercapto-1,2-dihydropyrimidin-2-yl]-2-furyl]benzoic acid ethyl ester Formula: C24H18ClN3O4S MolecularWeight: 479.93542

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C3NC(=O)C(=C(N3C4=CC=C(C=C4)Cl)S)C#N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C3NC(=O)C(=C(N3C4=CC=C(C=C4)Cl)S)C#N

InChI

InChI=1S/C24H18ClN3O4S/c1-2-31-24(30)15-5-3-14(4-6-15)19-11-12-20(32-19)21-27-22(29)18(13-26)23(33)28(21)17-9-7-16(25)8-10-17/h3-12,21,33H,2H2,1H3,(H,27,29)