(2-methoxy-5-methyl-phenyl)methyl (2R)-2-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-methylsulfanyl-propanoate

Systemtic Name: (2-methoxy-5-methyl-phenyl)methyl (2R)-2-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-methylsulfanyl-propanoate Openeye Name: (2-methoxy-5-methyl-phenyl)methyl (2R)-2-(1,3-dioxoisoindolin-2-yl)-3-methylsulfanyl-propanoate CAS Name: (2R)-2-(1,3-dioxo-2-isoindolyl)-3-(methylthio)propanoic acid (2-methoxy-5-methylphenyl)methyl ester IUPAC Name: (2-methoxy-5-methylphenyl)methyl (2R)-2-(1,3-dioxoisoindol-2-yl)-3-methylsulfanylpropanoate Traditional Name: (2R)-3-(methylthio)-2-phthalimido-propionic acid (2-methoxy-5-methyl-benzyl) ester Formula: C21H21NO5S MolecularWeight: 399.46014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)COC(=O)C(CSC)N2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CC1=CC(=C(C=C1)OC)COC(=O)[C@H](CSC)N2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C21H21NO5S/c1-13-8-9-18(26-2)14(10-13)11-27-21(25)17(12-28-3)22-19(23)15-6-4-5-7-16(15)20(22)24/h4-10,17H,11-12H2,1-3H3/t17-/m0/s1