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

Systemtic Name: 3-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]propyl 5-oxidanylidene-1-phenyl-pyrrolidine-3-carboxylate Openeye Name: 3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propyl 5-oxo-1-phenyl-pyrrolidine-3-carboxylate CAS Name: 5-oxo-1-phenyl-3-pyrrolidinecarboxylic acid 3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propyl ester IUPAC Name: 3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propyl 5-oxo-1-phenylpyrrolidine-3-carboxylate Traditional Name: 5-keto-1-phenyl-pyrrolidine-3-carboxylic acid 3-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]propyl ester Formula: C21H21N3O5S MolecularWeight: 427.47354

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1=O)C2=CC=CC=C2)C(=O)OCCCNC3=NS(=O)(=O)C4=CC=CC=C43

Isomeric SMILES

C1C(CN(C1=O)C2=CC=CC=C2)C(=O)OCCCNC3=NS(=O)(=O)C4=CC=CC=C43

InChI

InChI=1S/C21H21N3O5S/c25-19-13-15(14-24(19)16-7-2-1-3-8-16)21(26)29-12-6-11-22-20-17-9-4-5-10-18(17)30(27,28)23-20/h1-5,7-10,15H,6,11-14H2,(H,22,23)