[1,3-bis(oxidanylidene)isoindol-2-yl]methyl 2-[(5-cyano-4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]ethanoate

Systemtic Name: [1,3-bis(oxidanylidene)isoindol-2-yl]methyl 2-[(5-cyano-4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]ethanoate Openeye Name: (1,3-dioxoisoindolin-2-yl)methyl 2-[(5-cyano-4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetate CAS Name: 2-[(5-cyano-4-oxo-6-phenyl-1H-pyrimidin-2-yl)thio]acetic acid (1,3-dioxo-2-isoindolyl)methyl ester IUPAC Name: (1,3-dioxoisoindol-2-yl)methyl 2-[(5-cyano-4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetate Traditional Name: 2-[(5-cyano-4-keto-6-phenyl-1H-pyrimidin-2-yl)thio]acetic acid phthalimidomethyl ester Formula: C22H14N4O5S MolecularWeight: 446.43536

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=O)N=C(N2)SCC(=O)OCN3C(=O)C4=CC=CC=C4C3=O)C#N

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=O)N=C(N2)SCC(=O)OCN3C(=O)C4=CC=CC=C4C3=O)C#N

InChI

InChI=1S/C22H14N4O5S/c23-10-16-18(13-6-2-1-3-7-13)24-22(25-19(16)28)32-11-17(27)31-12-26-20(29)14-8-4-5-9-15(14)21(26)30/h1-9H,11-12H2,(H,24,25,28)