2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 4-(1,3-dithian-2-yl)benzoate

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 4-(1,3-dithian-2-yl)benzoate Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)ethyl 4-(1,3-dithian-2-yl)benzoate CAS Name: 4-(1,3-dithian-2-yl)benzoic acid 2-(1,3-dioxo-2-isoindolyl)ethyl ester IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)ethyl 4-(1,3-dithian-2-yl)benzoate Traditional Name: 4-(1,3-dithian-2-yl)benzoic acid 2-phthalimidoethyl ester Formula: C21H19NO4S2 MolecularWeight: 413.50986

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(SC1)C2=CC=C(C=C2)C(=O)OCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1CSC(SC1)C2=CC=C(C=C2)C(=O)OCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C21H19NO4S2/c23-18-16-4-1-2-5-17(16)19(24)22(18)10-11-26-20(25)14-6-8-15(9-7-14)21-27-12-3-13-28-21/h1-2,4-9,21H,3,10-13H2