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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)CSC2=NC3=C(S2)C=CC(=C3)Cl

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)CSC2=NC3=C(S2)C=CC(=C3)Cl

InChI

InChI=1S/C17H19ClN2O3S2/c1-2-23-16(22)11-4-3-7-20(9-11)15(21)10-24-17-19-13-8-12(18)5-6-14(13)25-17/h5-6,8,11H,2-4,7,9-10H2,1H3