[2-[1,3-benzothiazol-2-yl(ethyl)amino]-2-oxidanylidene-ethyl] 1-(furan-3-ylcarbonyl)piperidine-3-carboxylate

Systemtic Name: [2-[1,3-benzothiazol-2-yl(ethyl)amino]-2-oxidanylidene-ethyl] 1-(furan-3-ylcarbonyl)piperidine-3-carboxylate Openeye Name: [2-[1,3-benzothiazol-2-yl(ethyl)amino]-2-oxo-ethyl] 1-(furan-3-carbonyl)piperidine-3-carboxylate CAS Name: 1-[3-furanyl(oxo)methyl]-3-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-(furan-3-carbonyl)piperidine-3-carboxylate Traditional Name: 1-(3-furoyl)nipecotic acid [2-[1,3-benzothiazol-2-yl(ethyl)amino]-2-keto-ethyl] ester Formula: C22H23N3O5S MolecularWeight: 441.50012

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=NC2=CC=CC=C2S1)C(=O)COC(=O)C3CCCN(C3)C(=O)C4=COC=C4

Isomeric SMILES

CCN(C1=NC2=CC=CC=C2S1)C(=O)COC(=O)C3CCCN(C3)C(=O)C4=COC=C4

InChI

InChI=1S/C22H23N3O5S/c1-2-25(22-23-17-7-3-4-8-18(17)31-22)19(26)14-30-21(28)15-6-5-10-24(12-15)20(27)16-9-11-29-13-16/h3-4,7-9,11,13,15H,2,5-6,10,12,14H2,1H3