4-[1,3-bis(oxidanylidene)isoindol-2-yl]butyl 2-chloranyl-5-methylsulfanyl-benzoate

Systemtic Name: 4-[1,3-bis(oxidanylidene)isoindol-2-yl]butyl 2-chloranyl-5-methylsulfanyl-benzoate Openeye Name: 4-(1,3-dioxoisoindolin-2-yl)butyl 2-chloro-5-methylsulfanyl-benzoate CAS Name: 2-chloro-5-(methylthio)benzoic acid 4-(1,3-dioxo-2-isoindolyl)butyl ester IUPAC Name: 4-(1,3-dioxoisoindol-2-yl)butyl 2-chloro-5-methylsulfanylbenzoate Traditional Name: 2-chloro-5-(methylthio)benzoic acid 4-phthalimidobutyl ester Formula: C20H18ClNO4S MolecularWeight: 403.87922

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC(=C(C=C1)Cl)C(=O)OCCCCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CSC1=CC(=C(C=C1)Cl)C(=O)OCCCCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C20H18ClNO4S/c1-27-13-8-9-17(21)16(12-13)20(25)26-11-5-4-10-22-18(23)14-6-2-3-7-15(14)19(22)24/h2-3,6-9,12H,4-5,10-11H2,1H3