[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 4-[1,3-bis(oxidanylidene)isoindol-2-yl]butanoate

Systemtic Name: [2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 4-[1,3-bis(oxidanylidene)isoindol-2-yl]butanoate Openeye Name: [2-(2-methylsulfanylanilino)-2-oxo-ethyl] 4-(1,3-dioxoisoindolin-2-yl)butanoate CAS Name: 4-(1,3-dioxo-2-isoindolyl)butanoic acid [2-[2-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(2-methylsulfanylanilino)-2-oxoethyl] 4-(1,3-dioxoisoindol-2-yl)butanoate Traditional Name: 4-phthalimidobutyric acid [2-keto-2-[2-(methylthio)anilino]ethyl] ester Formula: C21H20N2O5S MolecularWeight: 412.4589

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1NC(=O)COC(=O)CCCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CSC1=CC=CC=C1NC(=O)COC(=O)CCCN2C(=O)C3=CC=CC=C3C2=O

InChI

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