(4-benzamidothiolan-3-yl) 2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethanoate

Systemtic Name: (4-benzamidothiolan-3-yl) 2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethanoate Openeye Name: (4-benzamidotetrahydrothiophen-3-yl) 2-(1,3-dioxoisoindolin-2-yl)acetate CAS Name: 2-(1,3-dioxo-2-isoindolyl)acetic acid (4-benzamido-3-thiolanyl) ester IUPAC Name: (4-benzamidothiolan-3-yl) 2-(1,3-dioxoisoindol-2-yl)acetate Traditional Name: 2-phthalimidoacetic acid (4-benzamidotetrahydrothiophen-3-yl) ester Formula: C21H18N2O5S MolecularWeight: 410.44302

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(CS1)OC(=O)CN2C(=O)C3=CC=CC=C3C2=O)NC(=O)C4=CC=CC=C4

Isomeric SMILES

C1C(C(CS1)OC(=O)CN2C(=O)C3=CC=CC=C3C2=O)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H18N2O5S/c24-18(10-23-20(26)14-8-4-5-9-15(14)21(23)27)28-17-12-29-11-16(17)22-19(25)13-6-2-1-3-7-13/h1-9,16-17H,10-12H2,(H,22,25)