methyl 1-[3-(1,3-benzothiazol-2-yl)propanoyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[3-(1,3-benzothiazol-2-yl)propanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[3-(1,3-benzothiazol-2-yl)propanoyl]piperidine-4-carboxylate CAS Name: 1-[3-(1,3-benzothiazol-2-yl)-1-oxopropyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[3-(1,3-benzothiazol-2-yl)propanoyl]piperidine-4-carboxylate Traditional Name: 1-[3-(1,3-benzothiazol-2-yl)propanoyl]isonipecotic acid methyl ester Formula: C17H20N2O3S MolecularWeight: 332.4173

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C(=O)CCC2=NC3=CC=CC=C3S2

Isomeric SMILES

COC(=O)C1CCN(CC1)C(=O)CCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C17H20N2O3S/c1-22-17(21)12-8-10-19(11-9-12)16(20)7-6-15-18-13-4-2-3-5-14(13)23-15/h2-5,12H,6-11H2,1H3