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

Systemtic Name: phenyl (2S)-1-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]pyrrolidine-2-carboxylate Openeye Name: phenyl (2S)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)pyrrolidine-2-carboxylate CAS Name: (2S)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-2-pyrrolidinecarboxylic acid phenyl ester IUPAC Name: phenyl (2S)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)pyrrolidine-2-carboxylate Traditional Name: (2S)-1-(1,1-diketo-1,2-benzothiazol-3-yl)pyrrolidine-2-carboxylic acid phenyl ester Formula: C18H16N2O4S MolecularWeight: 356.39564

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C2=NS(=O)(=O)C3=CC=CC=C32)C(=O)OC4=CC=CC=C4

Isomeric SMILES

C1C[C@H](N(C1)C2=NS(=O)(=O)C3=CC=CC=C32)C(=O)OC4=CC=CC=C4

InChI

InChI=1S/C18H16N2O4S/c21-18(24-13-7-2-1-3-8-13)15-10-6-12-20(15)17-14-9-4-5-11-16(14)25(22,23)19-17/h1-5,7-9,11,15H,6,10,12H2/t15-/m0/s1