methyl 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-methyl-3-(phenylmethylsulfanyl)butanoate

Systemtic Name: methyl 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-methyl-3-(phenylmethylsulfanyl)butanoate Openeye Name: methyl 3-benzylsulfanyl-2-(1,3-dioxoisoindolin-2-yl)-3-methyl-butanoate CAS Name: 2-(1,3-dioxo-2-isoindolyl)-3-methyl-3-(phenylmethylthio)butanoic acid methyl ester IUPAC Name: methyl 3-benzylsulfanyl-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoate Traditional Name: 3-(benzylthio)-3-methyl-2-phthalimido-butyric acid methyl ester Formula: C21H21NO4S MolecularWeight: 383.46074

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(C(=O)OC)N1C(=O)C2=CC=CC=C2C1=O)SCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C(C(=O)OC)N1C(=O)C2=CC=CC=C2C1=O)SCC3=CC=CC=C3

InChI

InChI=1S/C21H21NO4S/c1-21(2,27-13-14-9-5-4-6-10-14)17(20(25)26-3)22-18(23)15-11-7-8-12-16(15)19(22)24/h4-12,17H,13H2,1-3H3