methyl 4-[[2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-methylsulfanyl-butanoyl]amino]benzoate

Systemtic Name: methyl 4-[[2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-methylsulfanyl-butanoyl]amino]benzoate Openeye Name: methyl 4-[[2-(1,3-dioxoisoindolin-2-yl)-4-methylsulfanyl-butanoyl]amino]benzoate CAS Name: 4-[[2-(1,3-dioxo-2-isoindolyl)-4-(methylthio)-1-oxobutyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(1,3-dioxoisoindol-2-yl)-4-methylsulfanylbutanoyl]amino]benzoate Traditional Name: 4-[[4-(methylthio)-2-phthalimido-butanoyl]amino]benzoic acid methyl ester Formula: C21H20N2O5S MolecularWeight: 412.4589

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)C(CCSC)N2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)C(CCSC)N2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C21H20N2O5S/c1-28-21(27)13-7-9-14(10-8-13)22-18(24)17(11-12-29-2)23-19(25)15-5-3-4-6-16(15)20(23)26/h3-10,17H,11-12H2,1-2H3,(H,22,24)