4-[1,3-bis(oxidanylidene)isoindol-2-yl]butyl 2-(2-methylphenyl)sulfanylethanoate

Systemtic Name: 4-[1,3-bis(oxidanylidene)isoindol-2-yl]butyl 2-(2-methylphenyl)sulfanylethanoate Openeye Name: 4-(1,3-dioxoisoindolin-2-yl)butyl 2-(o-tolylsulfanyl)acetate CAS Name: 2-[(2-methylphenyl)thio]acetic acid 4-(1,3-dioxo-2-isoindolyl)butyl ester IUPAC Name: 4-(1,3-dioxoisoindol-2-yl)butyl 2-(2-methylphenyl)sulfanylacetate Traditional Name: 2-(o-tolylthio)acetic acid 4-phthalimidobutyl ester Formula: C21H21NO4S MolecularWeight: 383.46074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SCC(=O)OCCCCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CC1=CC=CC=C1SCC(=O)OCCCCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C21H21NO4S/c1-15-8-2-5-11-18(15)27-14-19(23)26-13-7-6-12-22-20(24)16-9-3-4-10-17(16)21(22)25/h2-5,8-11H,6-7,12-14H2,1H3