(2S)-1-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-N-(4-ethanoylphenyl)pyrrolidine-2-carboxamide

Systemtic Name: (2S)-1-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-N-(4-ethanoylphenyl)pyrrolidine-2-carboxamide Openeye Name: (2S)-N-(4-acetylphenyl)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)pyrrolidine-2-carboxamide CAS Name: (2S)-N-(4-acetylphenyl)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-(4-acetylphenyl)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)pyrrolidine-2-carboxamide Traditional Name: (2S)-N-(4-acetylphenyl)-1-(1,1-diketo-1,2-benzothiazol-3-yl)pyrrolidine-2-carboxamide Formula: C20H19N3O4S MolecularWeight: 397.44756

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NC(=O)C2CCCN2C3=NS(=O)(=O)C4=CC=CC=C43

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NC(=O)[C@@H]2CCCN2C3=NS(=O)(=O)C4=CC=CC=C43

InChI

InChI=1S/C20H19N3O4S/c1-13(24)14-8-10-15(11-9-14)21-20(25)17-6-4-12-23(17)19-16-5-2-3-7-18(16)28(26,27)22-19/h2-3,5,7-11,17H,4,6,12H2,1H3,(H,21,25)/t17-/m0/s1