ethyl (2R)-1-[2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]ethanoyl]piperidine-2-carboxylate

Systemtic Name: ethyl (2R)-1-[2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]ethanoyl]piperidine-2-carboxylate Openeye Name: ethyl (2R)-1-[2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]acetyl]piperidine-2-carboxylate CAS Name: (2R)-1-[2-[(5-chloro-1,3-benzothiazol-2-yl)thio]-1-oxoethyl]-2-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (2R)-1-[2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]acetyl]piperidine-2-carboxylate Traditional Name: (2R)-1-[2-[(5-chloro-1,3-benzothiazol-2-yl)thio]acetyl]pipecolinic acid ethyl ester Formula: C17H19ClN2O3S2 MolecularWeight: 398.92736

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCCN1C(=O)CSC2=NC3=C(S2)C=CC(=C3)Cl

Isomeric SMILES

CCOC(=O)[C@H]1CCCCN1C(=O)CSC2=NC3=C(S2)C=CC(=C3)Cl

InChI

InChI=1S/C17H19ClN2O3S2/c1-2-23-16(22)13-5-3-4-8-20(13)15(21)10-24-17-19-12-9-11(18)6-7-14(12)25-17/h6-7,9,13H,2-5,8,10H2,1H3/t13-/m1/s1