ethyl 1-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-4-carboxylate CAS Name: 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-4-carboxylate Traditional Name: 1-(1,1-diketo-1,2-benzothiazol-3-yl)isonipecotic acid ethyl ester Formula: C15H18N2O4S MolecularWeight: 322.37942

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=NS(=O)(=O)C3=CC=CC=C32

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=NS(=O)(=O)C3=CC=CC=C32

InChI

InChI=1S/C15H18N2O4S/c1-2-21-15(18)11-7-9-17(10-8-11)14-12-5-3-4-6-13(12)22(19,20)16-14/h3-6,11H,2,7-10H2,1H3