methyl 1-[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxidanylidene-ethyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxidanylidene-ethyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxo-ethyl]piperidine-4-carboxylate CAS Name: 1-[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxoethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxoethyl]piperidine-4-carboxylate Traditional Name: 1-[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-keto-ethyl]isonipecotic acid methyl ester Formula: C18H23N3O3S MolecularWeight: 361.45852

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NC2=CC=CC=C2S1)C(=O)CN3CCC(CC3)C(=O)OC

Isomeric SMILES

CN(CC1=NC2=CC=CC=C2S1)C(=O)CN3CCC(CC3)C(=O)OC

InChI

InChI=1S/C18H23N3O3S/c1-20(11-16-19-14-5-3-4-6-15(14)25-16)17(22)12-21-9-7-13(8-10-21)18(23)24-2/h3-6,13H,7-12H2,1-2H3