(1-cyanoindolizin-2-yl)methyl 1-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]pyrrolidine-2-carboxylate

Systemtic Name: (1-cyanoindolizin-2-yl)methyl 1-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]pyrrolidine-2-carboxylate Openeye Name: (1-cyanoindolizin-2-yl)methyl 1-(1,1-dioxo-1,2-benzothiazol-3-yl)pyrrolidine-2-carboxylate CAS Name: 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-2-pyrrolidinecarboxylic acid (1-cyano-2-indolizinyl)methyl ester IUPAC Name: (1-cyanoindolizin-2-yl)methyl 1-(1,1-dioxo-1,2-benzothiazol-3-yl)pyrrolidine-2-carboxylate Traditional Name: 1-(1,1-diketo-1,2-benzothiazol-3-yl)pyrrolidine-2-carboxylic acid (1-cyanoindolizin-2-yl)methyl ester Formula: C22H18N4O4S MolecularWeight: 434.46772

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C2=NS(=O)(=O)C3=CC=CC=C32)C(=O)OCC4=CN5C=CC=CC5=C4C#N

Isomeric SMILES

C1CC(N(C1)C2=NS(=O)(=O)C3=CC=CC=C32)C(=O)OCC4=CN5C=CC=CC5=C4C#N

InChI

InChI=1S/C22H18N4O4S/c23-12-17-15(13-25-10-4-3-7-18(17)25)14-30-22(27)19-8-5-11-26(19)21-16-6-1-2-9-20(16)31(28,29)24-21/h1-4,6-7,9-10,13,19H,5,8,11,14H2