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

Systemtic Name: methyl 2-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethanoylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl 2-[[2-(1,3-dioxoisoindolin-2-yl)acetyl]amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[2-(1,3-dioxo-2-isoindolyl)-1-oxoethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-4-methylsulfanylbutanoate Traditional Name: 4-(methylthio)-2-[(2-phthalimidoacetyl)amino]butyric acid methyl ester Formula: C16H18N2O5S MolecularWeight: 350.38952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)CN1C(=O)C2=CC=CC=C2C1=O

Isomeric SMILES

COC(=O)C(CCSC)NC(=O)CN1C(=O)C2=CC=CC=C2C1=O

InChI

InChI=1S/C16H18N2O5S/c1-23-16(22)12(7-8-24-2)17-13(19)9-18-14(20)10-5-3-4-6-11(10)15(18)21/h3-6,12H,7-9H2,1-2H3,(H,17,19)