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

Systemtic Name: 2-(4-ethoxyphenoxy)ethyl 1-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]piperidine-4-carboxylate Openeye Name: 2-(4-ethoxyphenoxy)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 2-(4-ethoxyphenoxy)ethyl ester IUPAC Name: 2-(4-ethoxyphenoxy)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 2-(4-ethoxyphenoxy)ethyl ester Formula: C23H26N2O6S MolecularWeight: 458.52734

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)OCCOC(=O)C2CCN(CC2)C3=NS(=O)(=O)C4=CC=CC=C43

Isomeric SMILES

CCOC1=CC=C(C=C1)OCCOC(=O)C2CCN(CC2)C3=NS(=O)(=O)C4=CC=CC=C43

InChI

InChI=1S/C23H26N2O6S/c1-2-29-18-7-9-19(10-8-18)30-15-16-31-23(26)17-11-13-25(14-12-17)22-20-5-3-4-6-21(20)32(27,28)24-22/h3-10,17H,2,11-16H2,1H3