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

Systemtic Name: [1,3-bis(oxidanylidene)isoindol-2-yl]methyl 2-benzamido-4-methylsulfanyl-butanoate Openeye Name: (1,3-dioxoisoindolin-2-yl)methyl 2-benzamido-4-methylsulfanyl-butanoate CAS Name: 2-benzamido-4-(methylthio)butanoic acid (1,3-dioxo-2-isoindolyl)methyl ester IUPAC Name: (1,3-dioxoisoindol-2-yl)methyl 2-benzamido-4-methylsulfanylbutanoate Traditional Name: 2-benzamido-4-(methylthio)butyric acid phthalimidomethyl ester Formula: C21H20N2O5S MolecularWeight: 412.4589

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OCN1C(=O)C2=CC=CC=C2C1=O)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CSCCC(C(=O)OCN1C(=O)C2=CC=CC=C2C1=O)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H20N2O5S/c1-29-12-11-17(22-18(24)14-7-3-2-4-8-14)21(27)28-13-23-19(25)15-9-5-6-10-16(15)20(23)26/h2-10,17H,11-13H2,1H3,(H,22,24)