(1-cyanoindolizin-2-yl)methyl 4-[1,1-bis(oxidanylidene)-1,2-thiazolidin-2-yl]benzoate

Systemtic Name: (1-cyanoindolizin-2-yl)methyl 4-[1,1-bis(oxidanylidene)-1,2-thiazolidin-2-yl]benzoate Openeye Name: (1-cyanoindolizin-2-yl)methyl 4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate CAS Name: 4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoic acid (1-cyano-2-indolizinyl)methyl ester IUPAC Name: (1-cyanoindolizin-2-yl)methyl 4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate Traditional Name: 4-(1,1-diketo-1,2-thiazolidin-2-yl)benzoic acid (1-cyanoindolizin-2-yl)methyl ester Formula: C20H17N3O4S MolecularWeight: 395.43168

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(S(=O)(=O)C1)C2=CC=C(C=C2)C(=O)OCC3=CN4C=CC=CC4=C3C#N

Isomeric SMILES

C1CN(S(=O)(=O)C1)C2=CC=C(C=C2)C(=O)OCC3=CN4C=CC=CC4=C3C#N

InChI

InChI=1S/C20H17N3O4S/c21-12-18-16(13-22-9-2-1-4-19(18)22)14-27-20(24)15-5-7-17(8-6-15)23-10-3-11-28(23,25)26/h1-2,4-9,13H,3,10-11,14H2