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

Systemtic Name: 1-cyanoethyl 1-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]piperidine-3-carboxylate Openeye Name: 1-cyanoethyl 1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-3-carboxylate CAS Name: 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-3-piperidinecarboxylic acid 1-cyanoethyl ester IUPAC Name: 1-cyanoethyl 1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-3-carboxylate Traditional Name: 1-(1,1-diketo-1,2-benzothiazol-3-yl)nipecotic acid 1-cyanoethyl ester Formula: C16H17N3O4S MolecularWeight: 347.38888

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)OC(=O)C1CCCN(C1)C2=NS(=O)(=O)C3=CC=CC=C32

Isomeric SMILES

CC(C#N)OC(=O)C1CCCN(C1)C2=NS(=O)(=O)C3=CC=CC=C32

InChI

InChI=1S/C16H17N3O4S/c1-11(9-17)23-16(20)12-5-4-8-19(10-12)15-13-6-2-3-7-14(13)24(21,22)18-15/h2-3,6-7,11-12H,4-5,8,10H2,1H3