ethyl 1-[2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]propanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]propanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]propanoyl]piperidine-4-carboxylate CAS Name: 1-[2-[(5-chloro-1,3-benzothiazol-2-yl)thio]-1-oxopropyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]propanoyl]piperidine-4-carboxylate Traditional Name: 1-[2-[(5-chloro-1,3-benzothiazol-2-yl)thio]propanoyl]isonipecotic acid ethyl ester Formula: C18H21ClN2O3S2 MolecularWeight: 412.95394

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C(C)SC2=NC3=C(S2)C=CC(=C3)Cl

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C(C)SC2=NC3=C(S2)C=CC(=C3)Cl

InChI

InChI=1S/C18H21ClN2O3S2/c1-3-24-17(23)12-6-8-21(9-7-12)16(22)11(2)25-18-20-14-10-13(19)4-5-15(14)26-18/h4-5,10-12H,3,6-9H2,1-2H3