ethyl 1-[(2-piperidin-1-yl-1,3-benzothiazol-6-yl)carbonyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[(2-piperidin-1-yl-1,3-benzothiazol-6-yl)carbonyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-(1-piperidyl)-1,3-benzothiazole-6-carbonyl]piperidine-4-carboxylate CAS Name: 1-[oxo-[2-(1-piperidinyl)-1,3-benzothiazol-6-yl]methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2-piperidin-1-yl-1,3-benzothiazole-6-carbonyl)piperidine-4-carboxylate Traditional Name: 1-(2-piperidino-1,3-benzothiazole-6-carbonyl)isonipecotic acid ethyl ester Formula: C21H27N3O3S MolecularWeight: 401.52238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2=CC3=C(C=C2)N=C(S3)N4CCCCC4

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2=CC3=C(C=C2)N=C(S3)N4CCCCC4

InChI

InChI=1S/C21H27N3O3S/c1-2-27-20(26)15-8-12-23(13-9-15)19(25)16-6-7-17-18(14-16)28-21(22-17)24-10-4-3-5-11-24/h6-7,14-15H,2-5,8-13H2,1H3