[2-oxidanylidene-2-(prop-2-enylamino)ethyl] 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-methylsulfanyl-butanoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-enylamino)ethyl] 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-methylsulfanyl-butanoate Openeye Name: [2-(allylamino)-2-oxo-ethyl] 2-(1,3-dioxoisoindolin-2-yl)-4-methylsulfanyl-butanoate CAS Name: 2-(1,3-dioxo-2-isoindolyl)-4-(methylthio)butanoic acid [2-oxo-2-(prop-2-enylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-enylamino)ethyl] 2-(1,3-dioxoisoindol-2-yl)-4-methylsulfanylbutanoate Traditional Name: 4-(methylthio)-2-phthalimido-butyric acid [2-(allylamino)-2-keto-ethyl] ester Formula: C18H20N2O5S MolecularWeight: 376.4268

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OCC(=O)NCC=C)N1C(=O)C2=CC=CC=C2C1=O

Isomeric SMILES

CSCCC(C(=O)OCC(=O)NCC=C)N1C(=O)C2=CC=CC=C2C1=O

InChI

InChI=1S/C18H20N2O5S/c1-3-9-19-15(21)11-25-18(24)14(8-10-26-2)20-16(22)12-6-4-5-7-13(12)17(20)23/h3-7,14H,1,8-11H2,2H3,(H,19,21)