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

Systemtic Name: ethyl 4-[5-[(2S)-5-cyano-6-oxidanylidene-3-phenyl-4-sulfanyl-1,2-dihydropyrimidin-2-yl]furan-2-yl]benzoate Openeye Name: ethyl 4-[5-[(2S)-5-cyano-6-oxo-3-phenyl-4-sulfanyl-1,2-dihydropyrimidin-2-yl]-2-furyl]benzoate CAS Name: 4-[5-[(2S)-5-cyano-4-mercapto-6-oxo-3-phenyl-1,2-dihydropyrimidin-2-yl]-2-furanyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[5-[(2S)-5-cyano-6-oxo-3-phenyl-4-sulfanyl-1,2-dihydropyrimidin-2-yl]furan-2-yl]benzoate Traditional Name: 4-[5-[(2S)-5-cyano-6-keto-4-mercapto-3-phenyl-1,2-dihydropyrimidin-2-yl]-2-furyl]benzoic acid ethyl ester Formula: C24H19N3O4S MolecularWeight: 445.49036

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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=CC=C4)S)C#N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)[C@H]3NC(=O)C(=C(N3C4=CC=CC=C4)S)C#N

InChI

InChI=1S/C24H19N3O4S/c1-2-30-24(29)16-10-8-15(9-11-16)19-12-13-20(31-19)21-26-22(28)18(14-25)23(32)27(21)17-6-4-3-5-7-17/h3-13,21,32H,2H2,1H3,(H,26,28)/t21-/m0/s1