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

Systemtic Name: ethyl 1-[(2-pyrrol-1-yl-1,3-benzothiazol-6-yl)carbonyl]piperidine-4-carboxylate Openeye Name: ethyl 1-(2-pyrrol-1-yl-1,3-benzothiazole-6-carbonyl)piperidine-4-carboxylate CAS Name: 1-[oxo-[2-(1-pyrrolyl)-1,3-benzothiazol-6-yl]methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2-pyrrol-1-yl-1,3-benzothiazole-6-carbonyl)piperidine-4-carboxylate Traditional Name: 1-(2-pyrrol-1-yl-1,3-benzothiazole-6-carbonyl)isonipecotic acid ethyl ester Formula: C20H21N3O3S MolecularWeight: 383.46404

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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=C4

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2=CC3=C(C=C2)N=C(S3)N4C=CC=C4

InChI

InChI=1S/C20H21N3O3S/c1-2-26-19(25)14-7-11-22(12-8-14)18(24)15-5-6-16-17(13-15)27-20(21-16)23-9-3-4-10-23/h3-6,9-10,13-14H,2,7-8,11-12H2,1H3