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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=CC3=C(C=C2)N=C(S3)N4C=CC=C4

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)C(=O)C2=CC3=C(C=C2)N=C(S3)N4C=CC=C4

InChI

InChI=1S/C20H21N3O3S/c1-2-26-19(25)15-6-5-11-23(13-15)18(24)14-7-8-16-17(12-14)27-20(21-16)22-9-3-4-10-22/h3-4,7-10,12,15H,2,5-6,11,13H2,1H3/t15-/m0/s1