[4-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-methyl-amino]phenyl] 5-oxidanylidene-1-phenyl-pyrrolidine-3-carboxylate

Systemtic Name: [4-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-methyl-amino]phenyl] 5-oxidanylidene-1-phenyl-pyrrolidine-3-carboxylate Openeye Name: [4-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methyl-amino]phenyl] 5-oxo-1-phenyl-pyrrolidine-3-carboxylate CAS Name: 5-oxo-1-phenyl-3-pyrrolidinecarboxylic acid [4-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]phenyl] ester IUPAC Name: [4-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]phenyl] 5-oxo-1-phenylpyrrolidine-3-carboxylate Traditional Name: 5-keto-1-phenyl-pyrrolidine-3-carboxylic acid [4-[(1,1-diketo-1,2-benzothiazol-3-yl)-methyl-amino]phenyl] ester Formula: C25H21N3O5S MolecularWeight: 475.51634

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=C(C=C1)OC(=O)C2CC(=O)N(C2)C3=CC=CC=C3)C4=NS(=O)(=O)C5=CC=CC=C54

Isomeric SMILES

CN(C1=CC=C(C=C1)OC(=O)C2CC(=O)N(C2)C3=CC=CC=C3)C4=NS(=O)(=O)C5=CC=CC=C54

InChI

InChI=1S/C25H21N3O5S/c1-27(24-21-9-5-6-10-22(21)34(31,32)26-24)18-11-13-20(14-12-18)33-25(30)17-15-23(29)28(16-17)19-7-3-2-4-8-19/h2-14,17H,15-16H2,1H3