tert-butyl 4-[1,3-bis(oxidanylidene)isoindol-2-yl]oxy-2-[(4-bromophenyl)sulfanylmethyl]butanoate

Systemtic Name: tert-butyl 4-[1,3-bis(oxidanylidene)isoindol-2-yl]oxy-2-[(4-bromophenyl)sulfanylmethyl]butanoate Openeye Name: tert-butyl 2-[(4-bromophenyl)sulfanylmethyl]-4-(1,3-dioxoisoindolin-2-yl)oxy-butanoate CAS Name: 2-[[(4-bromophenyl)thio]methyl]-4-[(1,3-dioxo-2-isoindolyl)oxy]butanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(4-bromophenyl)sulfanylmethyl]-4-(1,3-dioxoisoindol-2-yl)oxybutanoate Traditional Name: 2-[[(4-bromophenyl)thio]methyl]-4-phthalimidooxy-butyric acid tert-butyl ester Formula: C23H24BrNO5S MolecularWeight: 506.40936

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CCON1C(=O)C2=CC=CC=C2C1=O)CSC3=CC=C(C=C3)Br

Isomeric SMILES

CC(C)(C)OC(=O)C(CCON1C(=O)C2=CC=CC=C2C1=O)CSC3=CC=C(C=C3)Br

InChI

InChI=1S/C23H24BrNO5S/c1-23(2,3)30-22(28)15(14-31-17-10-8-16(24)9-11-17)12-13-29-25-20(26)18-6-4-5-7-19(18)21(25)27/h4-11,15H,12-14H2,1-3H3