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

Systemtic Name: ethyl 4-[5-[5-cyano-3-(4-methylphenyl)-6-oxidanylidene-4-sulfanyl-1,2-dihydropyrimidin-2-yl]furan-2-yl]benzoate Openeye Name: ethyl 4-[5-[5-cyano-6-oxo-3-(p-tolyl)-4-sulfanyl-1,2-dihydropyrimidin-2-yl]-2-furyl]benzoate CAS Name: 4-[5-[5-cyano-4-mercapto-3-(4-methylphenyl)-6-oxo-1,2-dihydropyrimidin-2-yl]-2-furanyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[5-[5-cyano-3-(4-methylphenyl)-6-oxo-4-sulfanyl-1,2-dihydropyrimidin-2-yl]furan-2-yl]benzoate Traditional Name: 4-[5-[5-cyano-6-keto-4-mercapto-3-(p-tolyl)-1,2-dihydropyrimidin-2-yl]-2-furyl]benzoic acid ethyl ester Formula: C25H21N3O4S MolecularWeight: 459.51694

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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)C)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)C)S)C#N

InChI

InChI=1S/C25H21N3O4S/c1-3-31-25(30)17-8-6-16(7-9-17)20-12-13-21(32-20)22-27-23(29)19(14-26)24(33)28(22)18-10-4-15(2)5-11-18/h4-13,22,33H,3H2,1-2H3,(H,27,29)