2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 2-[(4-tert-butylphenyl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 2-[(4-tert-butylphenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)ethyl 2-[(4-tert-butylbenzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[(4-tert-butylphenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid 2-(1,3-dioxo-2-isoindolyl)ethyl ester IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)ethyl 2-[(4-tert-butylbenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: 2-[(4-tert-butylbenzoyl)amino]-4-(methylthio)butyric acid 2-phthalimidoethyl ester Formula: C26H30N2O5S MolecularWeight: 482.5918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC(CCSC)C(=O)OCCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC(CCSC)C(=O)OCCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C26H30N2O5S/c1-26(2,3)18-11-9-17(10-12-18)22(29)27-21(13-16-34-4)25(32)33-15-14-28-23(30)19-7-5-6-8-20(19)24(28)31/h5-12,21H,13-16H2,1-4H3,(H,27,29)