ethyl 1-(2,1,3-benzothiadiazol-5-ylmethyl)-4-(2-phenoxyethyl)piperidine-4-carboxylate

Systemtic Name: ethyl 1-(2,1,3-benzothiadiazol-5-ylmethyl)-4-(2-phenoxyethyl)piperidine-4-carboxylate Openeye Name: ethyl 1-(2,1,3-benzothiadiazol-5-ylmethyl)-4-(2-phenoxyethyl)piperidine-4-carboxylate CAS Name: 1-(2,1,3-benzothiadiazol-5-ylmethyl)-4-(2-phenoxyethyl)-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2,1,3-benzothiadiazol-5-ylmethyl)-4-(2-phenoxyethyl)piperidine-4-carboxylate Traditional Name: 4-(2-phenoxyethyl)-1-(piazthiol-5-ylmethyl)isonipecotic acid ethyl ester Formula: C23H27N3O3S MolecularWeight: 425.54378

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)CC2=CC3=NSN=C3C=C2)CCOC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)CC2=CC3=NSN=C3C=C2)CCOC4=CC=CC=C4

InChI

InChI=1S/C23H27N3O3S/c1-2-28-22(27)23(12-15-29-19-6-4-3-5-7-19)10-13-26(14-11-23)17-18-8-9-20-21(16-18)25-30-24-20/h3-9,16H,2,10-15,17H2,1H3