[2-[1,3-benzothiazol-2-yl(ethyl)amino]-2-oxidanylidene-ethyl] 1-(5-aminocarbonylpyridin-2-yl)piperidine-4-carboxylate

Systemtic Name: [2-[1,3-benzothiazol-2-yl(ethyl)amino]-2-oxidanylidene-ethyl] 1-(5-aminocarbonylpyridin-2-yl)piperidine-4-carboxylate Openeye Name: [2-[1,3-benzothiazol-2-yl(ethyl)amino]-2-oxo-ethyl] 1-(5-carbamoyl-2-pyridyl)piperidine-4-carboxylate CAS Name: 1-(5-carbamoyl-2-pyridinyl)-4-piperidinecarboxylic acid [2-[1,3-benzothiazol-2-yl(ethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[1,3-benzothiazol-2-yl(ethyl)amino]-2-oxoethyl] 1-(5-carbamoylpyridin-2-yl)piperidine-4-carboxylate Traditional Name: 1-(5-carbamoyl-2-pyridyl)isonipecotic acid [2-[1,3-benzothiazol-2-yl(ethyl)amino]-2-keto-ethyl] ester Formula: C23H25N5O4S MolecularWeight: 467.5407

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=NC2=CC=CC=C2S1)C(=O)COC(=O)C3CCN(CC3)C4=NC=C(C=C4)C(=O)N

Isomeric SMILES

CCN(C1=NC2=CC=CC=C2S1)C(=O)COC(=O)C3CCN(CC3)C4=NC=C(C=C4)C(=O)N

InChI

InChI=1S/C23H25N5O4S/c1-2-28(23-26-17-5-3-4-6-18(17)33-23)20(29)14-32-22(31)15-9-11-27(12-10-15)19-8-7-16(13-25-19)21(24)30/h3-8,13,15H,2,9-12,14H2,1H3,(H2,24,30)