(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl) 2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethanoate

Systemtic Name: (2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl) 2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethanoate Openeye Name: (2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl) 2-(1,3-dioxoisoindolin-2-yl)acetate CAS Name: 2-(1,3-dioxo-2-isoindolyl)acetic acid [2-(1-pyrrolidinyl)-1,3-benzothiazol-6-yl] ester IUPAC Name: (2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl) 2-(1,3-dioxoisoindol-2-yl)acetate Traditional Name: 2-phthalimidoacetic acid (2-pyrrolidino-1,3-benzothiazol-6-yl) ester Formula: C21H17N3O4S MolecularWeight: 407.44238

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC3=C(S2)C=C(C=C3)OC(=O)CN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

C1CCN(C1)C2=NC3=C(S2)C=C(C=C3)OC(=O)CN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C21H17N3O4S/c25-18(12-24-19(26)14-5-1-2-6-15(14)20(24)27)28-13-7-8-16-17(11-13)29-21(22-16)23-9-3-4-10-23/h1-2,5-8,11H,3-4,9-10,12H2