2-acetamidoethyl (3S)-1-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]piperidine-3-carboxylate

Systemtic Name: 2-acetamidoethyl (3S)-1-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]piperidine-3-carboxylate Openeye Name: 2-acetamidoethyl (3S)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-3-carboxylate CAS Name: (3S)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-3-piperidinecarboxylic acid 2-acetamidoethyl ester IUPAC Name: 2-acetamidoethyl (3S)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-3-carboxylate Traditional Name: (3S)-1-(1,1-diketo-1,2-benzothiazol-3-yl)nipecotic acid 2-acetamidoethyl ester Formula: C17H21N3O5S MolecularWeight: 379.43074

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCOC(=O)C1CCCN(C1)C2=NS(=O)(=O)C3=CC=CC=C32

Isomeric SMILES

CC(=O)NCCOC(=O)[C@H]1CCCN(C1)C2=NS(=O)(=O)C3=CC=CC=C32

InChI

InChI=1S/C17H21N3O5S/c1-12(21)18-8-10-25-17(22)13-5-4-9-20(11-13)16-14-6-2-3-7-15(14)26(23,24)19-16/h2-3,6-7,13H,4-5,8-11H2,1H3,(H,18,21)/t13-/m0/s1