1,3-benzothiazol-2-ylmethyl 1-(4-fluorophenyl)carbonylpiperidine-3-carboxylate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 1-(4-fluorophenyl)carbonylpiperidine-3-carboxylate Openeye Name: 1,3-benzothiazol-2-ylmethyl 1-(4-fluorobenzoyl)piperidine-3-carboxylate CAS Name: 1-[(4-fluorophenyl)-oxomethyl]-3-piperidinecarboxylic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 1-(4-fluorobenzoyl)piperidine-3-carboxylate Traditional Name: 1-(4-fluorobenzoyl)nipecotic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C21H19FN2O3S MolecularWeight: 398.450563

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=CC=C(C=C2)F)C(=O)OCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CC(CN(C1)C(=O)C2=CC=C(C=C2)F)C(=O)OCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H19FN2O3S/c22-16-9-7-14(8-10-16)20(25)24-11-3-4-15(12-24)21(26)27-13-19-23-17-5-1-2-6-18(17)28-19/h1-2,5-10,15H,3-4,11-13H2