methyl 1-[2-[(6-chloranyl-1H-benzimidazol-2-yl)sulfanyl]ethanoyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-[(6-chloranyl-1H-benzimidazol-2-yl)sulfanyl]ethanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]acetyl]piperidine-4-carboxylate CAS Name: 1-[2-[(6-chloro-1H-benzimidazol-2-yl)thio]-1-oxoethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[(6-chloro-1H-benzimidazol-2-yl)thio]acetyl]isonipecotic acid methyl ester Formula: C16H18ClN3O3S MolecularWeight: 367.85042

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C(=O)CSC2=NC3=C(N2)C=C(C=C3)Cl

Isomeric SMILES

COC(=O)C1CCN(CC1)C(=O)CSC2=NC3=C(N2)C=C(C=C3)Cl

InChI

InChI=1S/C16H18ClN3O3S/c1-23-15(22)10-4-6-20(7-5-10)14(21)9-24-16-18-12-3-2-11(17)8-13(12)19-16/h2-3,8,10H,4-7,9H2,1H3,(H,18,19)