4-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-[(4-phenylphenyl)methylsulfanylmethyl]butanoic acid

Systemtic Name: 4-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-[(4-phenylphenyl)methylsulfanylmethyl]butanoic acid Openeye Name: 4-(1,3-dioxoisoindolin-2-yl)-2-[(4-phenylphenyl)methylsulfanylmethyl]butanoic acid CAS Name: 4-(1,3-dioxo-2-isoindolyl)-2-[[(4-phenylphenyl)methylthio]methyl]butanoic acid IUPAC Name: 4-(1,3-dioxoisoindol-2-yl)-2-[(4-phenylphenyl)methylsulfanylmethyl]butanoic acid Traditional Name: 2-[[(4-phenylbenzyl)thio]methyl]-4-phthalimido-butyric acid Formula: C26H23NO4S MolecularWeight: 445.53012

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)CSCC(CCN3C(=O)C4=CC=CC=C4C3=O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)CSCC(CCN3C(=O)C4=CC=CC=C4C3=O)C(=O)O

InChI

InChI=1S/C26H23NO4S/c28-24-22-8-4-5-9-23(22)25(29)27(24)15-14-21(26(30)31)17-32-16-18-10-12-20(13-11-18)19-6-2-1-3-7-19/h1-13,21H,14-17H2,(H,30,31)