methyl 1-[2-(1,3-benzothiazol-2-yl)pyridin-3-yl]carbonylpiperidine-4-carboxylate

Systemtic Name: methyl 1-[2-(1,3-benzothiazol-2-yl)pyridin-3-yl]carbonylpiperidine-4-carboxylate Openeye Name: methyl 1-[2-(1,3-benzothiazol-2-yl)pyridine-3-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[2-(1,3-benzothiazol-2-yl)-3-pyridinyl]-oxomethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(1,3-benzothiazol-2-yl)pyridine-3-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[2-(1,3-benzothiazol-2-yl)nicotinoyl]isonipecotic acid methyl ester Formula: C20H19N3O3S MolecularWeight: 381.44816

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C(=O)C2=C(N=CC=C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

COC(=O)C1CCN(CC1)C(=O)C2=C(N=CC=C2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H19N3O3S/c1-26-20(25)13-8-11-23(12-9-13)19(24)14-5-4-10-21-17(14)18-22-15-6-2-3-7-16(15)27-18/h2-7,10,13H,8-9,11-12H2,1H3