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

Systemtic Name: (3S)-1-[(2-pyrrol-1-yl-1,3-benzothiazol-6-yl)carbonyl]piperidine-3-carboxylate Openeye Name: (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-piperidinecarboxylate IUPAC Name: (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)nipecotate Formula: C18H16N3O3S- MolecularWeight: 354.40294

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=CC3=C(C=C2)N=C(S3)N4C=CC=C4)C(=O)[O-]

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)C2=CC3=C(C=C2)N=C(S3)N4C=CC=C4)C(=O)[O-]

InChI

InChI=1S/C18H17N3O3S/c22-16(21-9-3-4-13(11-21)17(23)24)12-5-6-14-15(10-12)25-18(19-14)20-7-1-2-8-20/h1-2,5-8,10,13H,3-4,9,11H2,(H,23,24)/p-1/t13-/m0/s1