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

Systemtic Name: methyl (2S)-1-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]pyrrolidine-2-carboxylate Openeye Name: methyl (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 methyl ester IUPAC Name: methyl (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 methyl ester Formula: C13H14N2O4S MolecularWeight: 294.32626

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCCN1C2=NS(=O)(=O)C3=CC=CC=C32

Isomeric SMILES

COC(=O)[C@@H]1CCCN1C2=NS(=O)(=O)C3=CC=CC=C32

InChI

InChI=1S/C13H14N2O4S/c1-19-13(16)10-6-4-8-15(10)12-9-5-2-3-7-11(9)20(17,18)14-12/h2-3,5,7,10H,4,6,8H2,1H3/t10-/m0/s1