(4-phenylphenyl) 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-methylsulfanyl-butanoate

Systemtic Name: (4-phenylphenyl) 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-methylsulfanyl-butanoate Openeye Name: (4-phenylphenyl) 2-(1,3-dioxoisoindolin-2-yl)-4-methylsulfanyl-butanoate CAS Name: 2-(1,3-dioxo-2-isoindolyl)-4-(methylthio)butanoic acid (4-phenylphenyl) ester IUPAC Name: (4-phenylphenyl) 2-(1,3-dioxoisoindol-2-yl)-4-methylsulfanylbutanoate Traditional Name: 4-(methylthio)-2-phthalimido-butyric acid (4-phenylphenyl) ester Formula: C25H21NO4S MolecularWeight: 431.50354

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OC1=CC=C(C=C1)C2=CC=CC=C2)N3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CSCCC(C(=O)OC1=CC=C(C=C1)C2=CC=CC=C2)N3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C25H21NO4S/c1-31-16-15-22(26-23(27)20-9-5-6-10-21(20)24(26)28)25(29)30-19-13-11-18(12-14-19)17-7-3-2-4-8-17/h2-14,22H,15-16H2,1H3