(2-cyanophenyl)methyl (2S)-2-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-methylsulfanyl-propanoate

Systemtic Name: (2-cyanophenyl)methyl (2S)-2-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-methylsulfanyl-propanoate Openeye Name: (2-cyanophenyl)methyl (2S)-2-(1,3-dioxoisoindolin-2-yl)-3-methylsulfanyl-propanoate CAS Name: (2S)-2-(1,3-dioxo-2-isoindolyl)-3-(methylthio)propanoic acid (2-cyanophenyl)methyl ester IUPAC Name: (2-cyanophenyl)methyl (2S)-2-(1,3-dioxoisoindol-2-yl)-3-methylsulfanylpropanoate Traditional Name: (2S)-3-(methylthio)-2-phthalimido-propionic acid (2-cyanobenzyl) ester Formula: C20H16N2O4S MolecularWeight: 380.41704

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Descriptors Computed from Structure

Canonical SMILES:

CSCC(C(=O)OCC1=CC=CC=C1C#N)N2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CSC[C@H](C(=O)OCC1=CC=CC=C1C#N)N2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C20H16N2O4S/c1-27-12-17(20(25)26-11-14-7-3-2-6-13(14)10-21)22-18(23)15-8-4-5-9-16(15)19(22)24/h2-9,17H,11-12H2,1H3/t17-/m1/s1