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

Systemtic Name: ethyl 4-[[2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-methylsulfanyl-butanoyl]amino]benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 4-[[2-(1,3-dioxoisoindol-2-yl)-4-methylsulfanylbutanoyl]amino]benzoate Traditional Name: 4-[[4-(methylthio)-2-phthalimido-butanoyl]amino]benzoic acid ethyl ester Formula: C22H22N2O5S MolecularWeight: 426.48548

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O5S/c1-3-29-22(28)14-8-10-15(11-9-14)23-19(25)18(12-13-30-2)24-20(26)16-6-4-5-7-17(16)21(24)27/h4-11,18H,3,12-13H2,1-2H3,(H,23,25)