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

Systemtic Name: methyl 1-[[2-(2,5-dimethylpyrrol-1-yl)-1,3-benzothiazol-6-yl]carbonyl]piperidine-4-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=NC3=C(S2)C=C(C=C3)C(=O)N4CCC(CC4)C(=O)OC)C

Isomeric SMILES

CC1=CC=C(N1C2=NC3=C(S2)C=C(C=C3)C(=O)N4CCC(CC4)C(=O)OC)C

InChI

InChI=1S/C21H23N3O3S/c1-13-4-5-14(2)24(13)21-22-17-7-6-16(12-18(17)28-21)19(25)23-10-8-15(9-11-23)20(26)27-3/h4-7,12,15H,8-11H2,1-3H3