(2-morpholin-4-yl-1,3-benzothiazol-6-yl) 3-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate

Systemtic Name: (2-morpholin-4-yl-1,3-benzothiazol-6-yl) 3-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate Openeye Name: (2-morpholino-1,3-benzothiazol-6-yl) 3-(2,5-dioxopyrrolidin-1-yl)benzoate CAS Name: 3-(2,5-dioxo-1-pyrrolidinyl)benzoic acid [2-(4-morpholinyl)-1,3-benzothiazol-6-yl] ester IUPAC Name: (2-morpholin-4-yl-1,3-benzothiazol-6-yl) 3-(2,5-dioxopyrrolidin-1-yl)benzoate Traditional Name: 3-succinimidobenzoic acid (2-morpholino-1,3-benzothiazol-6-yl) ester Formula: C22H19N3O5S MolecularWeight: 437.46836

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1=O)C2=CC=CC(=C2)C(=O)OC3=CC4=C(C=C3)N=C(S4)N5CCOCC5

Isomeric SMILES

C1CC(=O)N(C1=O)C2=CC=CC(=C2)C(=O)OC3=CC4=C(C=C3)N=C(S4)N5CCOCC5

InChI

InChI=1S/C22H19N3O5S/c26-19-6-7-20(27)25(19)15-3-1-2-14(12-15)21(28)30-16-4-5-17-18(13-16)31-22(23-17)24-8-10-29-11-9-24/h1-5,12-13H,6-11H2