ethyl (3S)-1-(1,3-benzothiazol-6-ylcarbonyl)piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-(1,3-benzothiazol-6-ylcarbonyl)piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-(1,3-benzothiazole-6-carbonyl)piperidine-3-carboxylate CAS Name: (3S)-1-[1,3-benzothiazol-6-yl(oxo)methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-(1,3-benzothiazole-6-carbonyl)piperidine-3-carboxylate Traditional Name: (3S)-1-(1,3-benzothiazole-6-carbonyl)nipecotic acid ethyl ester Formula: C16H18N2O3S MolecularWeight: 318.39072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=CC3=C(C=C2)N=CS3

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)C(=O)C2=CC3=C(C=C2)N=CS3

InChI

InChI=1S/C16H18N2O3S/c1-2-21-16(20)12-4-3-7-18(9-12)15(19)11-5-6-13-14(8-11)22-10-17-13/h5-6,8,10,12H,2-4,7,9H2,1H3/t12-/m0/s1