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

Systemtic Name: [2-(phenylmethyl)phenyl] 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-methylsulfanyl-butanoate Openeye Name: (2-benzylphenyl) 2-(1,3-dioxoisoindolin-2-yl)-4-methylsulfanyl-butanoate CAS Name: 2-(1,3-dioxo-2-isoindolyl)-4-(methylthio)butanoic acid [2-(phenylmethyl)phenyl] ester IUPAC Name: (2-benzylphenyl) 2-(1,3-dioxoisoindol-2-yl)-4-methylsulfanylbutanoate Traditional Name: 4-(methylthio)-2-phthalimido-butyric acid (2-benzylphenyl) ester Formula: C26H23NO4S MolecularWeight: 445.53012

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OC1=CC=CC=C1CC2=CC=CC=C2)N3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CSCCC(C(=O)OC1=CC=CC=C1CC2=CC=CC=C2)N3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C26H23NO4S/c1-32-16-15-22(27-24(28)20-12-6-7-13-21(20)25(27)29)26(30)31-23-14-8-5-11-19(23)17-18-9-3-2-4-10-18/h2-14,22H,15-17H2,1H3