2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 3-(3,4-dimethylphenyl)sulfanylpropanoate

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 3-(3,4-dimethylphenyl)sulfanylpropanoate Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)ethyl 3-(3,4-dimethylphenyl)sulfanylpropanoate CAS Name: 3-[(3,4-dimethylphenyl)thio]propanoic acid 2-(1,3-dioxo-2-isoindolyl)ethyl ester IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)ethyl 3-(3,4-dimethylphenyl)sulfanylpropanoate Traditional Name: 3-[(3,4-dimethylphenyl)thio]propionic acid 2-phthalimidoethyl ester Formula: C21H21NO4S MolecularWeight: 383.46074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCCC(=O)OCCN2C(=O)C3=CC=CC=C3C2=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCCC(=O)OCCN2C(=O)C3=CC=CC=C3C2=O)C

InChI

InChI=1S/C21H21NO4S/c1-14-7-8-16(13-15(14)2)27-12-9-19(23)26-11-10-22-20(24)17-5-3-4-6-18(17)21(22)25/h3-8,13H,9-12H2,1-2H3