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

Systemtic Name: ethyl (2S)-1-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]pyrrolidine-2-carboxylate Openeye Name: ethyl (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 ethyl ester IUPAC Name: ethyl (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 ethyl ester Formula: C14H16N2O4S MolecularWeight: 308.35284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N2O4S/c1-2-20-14(17)11-7-5-9-16(11)13-10-6-3-4-8-12(10)21(18,19)15-13/h3-4,6,8,11H,2,5,7,9H2,1H3/t11-/m0/s1