ethyl 3-[[[(2S)-4-methylsulfanyl-2-(3-oxidanylidene-1H-isoindol-2-yl)butanoyl]amino]methyl]benzoate

Systemtic Name: ethyl 3-[[[(2S)-4-methylsulfanyl-2-(3-oxidanylidene-1H-isoindol-2-yl)butanoyl]amino]methyl]benzoate Openeye Name: ethyl 3-[[[(2S)-4-methylsulfanyl-2-(1-oxoisoindolin-2-yl)butanoyl]amino]methyl]benzoate CAS Name: 3-[[[(2S)-4-(methylthio)-1-oxo-2-(3-oxo-1H-isoindol-2-yl)butyl]amino]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[[(2S)-4-methylsulfanyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]amino]methyl]benzoate Traditional Name: 3-[[[(2S)-2-(1-ketoisoindolin-2-yl)-4-(methylthio)butanoyl]amino]methyl]benzoic acid ethyl ester Formula: C23H26N2O4S MolecularWeight: 426.52854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)CNC(=O)C(CCSC)N2CC3=CC=CC=C3C2=O

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)CNC(=O)[C@H](CCSC)N2CC3=CC=CC=C3C2=O

InChI

InChI=1S/C23H26N2O4S/c1-3-29-23(28)17-9-6-7-16(13-17)14-24-21(26)20(11-12-30-2)25-15-18-8-4-5-10-19(18)22(25)27/h4-10,13,20H,3,11-12,14-15H2,1-2H3,(H,24,26)/t20-/m0/s1