ethyl 1-[[2-(2,5-dimethylpyrrol-1-yl)-1,3-benzothiazol-6-yl]carbonyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[[2-(2,5-dimethylpyrrol-1-yl)-1,3-benzothiazol-6-yl]carbonyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-(2,5-dimethylpyrrol-1-yl)-1,3-benzothiazole-6-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[2-(2,5-dimethyl-1-pyrrolyl)-1,3-benzothiazol-6-yl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(2,5-dimethylpyrrol-1-yl)-1,3-benzothiazole-6-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[2-(2,5-dimethylpyrrol-1-yl)-1,3-benzothiazole-6-carbonyl]isonipecotic acid ethyl ester Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2=CC3=C(C=C2)N=C(S3)N4C(=CC=C4C)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2=CC3=C(C=C2)N=C(S3)N4C(=CC=C4C)C

InChI

InChI=1S/C22H25N3O3S/c1-4-28-21(27)16-9-11-24(12-10-16)20(26)17-7-8-18-19(13-17)29-22(23-18)25-14(2)5-6-15(25)3/h5-8,13,16H,4,9-12H2,1-3H3