S-(4-chlorophenyl) 6-[1,3-bis(oxidanylidene)isoindol-2-yl]hexanethioate

Systemtic Name: S-(4-chlorophenyl) 6-[1,3-bis(oxidanylidene)isoindol-2-yl]hexanethioate Openeye Name: S-(4-chlorophenyl) 6-(1,3-dioxoisoindolin-2-yl)hexanethioate CAS Name: 6-(1,3-dioxo-2-isoindolyl)hexanethioic acid S-(4-chlorophenyl) ester IUPAC Name: S-(4-chlorophenyl) 6-(1,3-dioxoisoindol-2-yl)hexanethioate Traditional Name: 6-phthalimidohexanethioic acid S-(4-chlorophenyl) ester Formula: C20H18ClNO3S MolecularWeight: 387.87982

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCCC(=O)SC3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCCC(=O)SC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H18ClNO3S/c21-14-9-11-15(12-10-14)26-18(23)8-2-1-5-13-22-19(24)16-6-3-4-7-17(16)20(22)25/h3-4,6-7,9-12H,1-2,5,8,13H2