[2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxidanylidene-ethyl] 4-chloranylpyridine-2-carboxylate

Systemtic Name: [2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxidanylidene-ethyl] 4-chloranylpyridine-2-carboxylate Openeye Name: [2-[(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidyl]-2-oxo-ethyl] 4-chloropyridine-2-carboxylate CAS Name: 4-chloro-2-pyridinecarboxylic acid [2-[(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidinyl]-2-oxoethyl] ester IUPAC Name: [2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxoethyl] 4-chloropyridine-2-carboxylate Traditional Name: 4-chloropicolinic acid [2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidino]-2-keto-ethyl] ester Formula: C20H18ClN3O3S MolecularWeight: 415.89322

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)COC(=O)C2=NC=CC(=C2)Cl)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)COC(=O)C2=NC=CC(=C2)Cl)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H18ClN3O3S/c21-14-7-8-22-16(10-14)20(26)27-12-18(25)24-9-3-4-13(11-24)19-23-15-5-1-2-6-17(15)28-19/h1-2,5-8,10,13H,3-4,9,11-12H2/t13-/m0/s1