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

Systemtic Name: methyl 4-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-[(4-bromophenyl)sulfanylmethyl]butanoate Openeye Name: methyl 2-[(4-bromophenyl)sulfanylmethyl]-4-(1,3-dioxoisoindolin-2-yl)butanoate CAS Name: 2-[[(4-bromophenyl)thio]methyl]-4-(1,3-dioxo-2-isoindolyl)butanoic acid methyl ester IUPAC Name: methyl 2-[(4-bromophenyl)sulfanylmethyl]-4-(1,3-dioxoisoindol-2-yl)butanoate Traditional Name: 2-[[(4-bromophenyl)thio]methyl]-4-phthalimido-butyric acid methyl ester Formula: C20H18BrNO4S MolecularWeight: 448.33022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCN1C(=O)C2=CC=CC=C2C1=O)CSC3=CC=C(C=C3)Br

Isomeric SMILES

COC(=O)C(CCN1C(=O)C2=CC=CC=C2C1=O)CSC3=CC=C(C=C3)Br

InChI

InChI=1S/C20H18BrNO4S/c1-26-20(25)13(12-27-15-8-6-14(21)7-9-15)10-11-22-18(23)16-4-2-3-5-17(16)19(22)24/h2-9,13H,10-12H2,1H3