ethyl (3S)-1-[2-[(6-chloranyl-1H-benzimidazol-2-yl)sulfanyl]ethanoyl]piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[2-[(6-chloranyl-1H-benzimidazol-2-yl)sulfanyl]ethanoyl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]acetyl]piperidine-3-carboxylate CAS Name: (3S)-1-[2-[(6-chloro-1H-benzimidazol-2-yl)thio]-1-oxoethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]acetyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[2-[(6-chloro-1H-benzimidazol-2-yl)thio]acetyl]nipecotic acid ethyl ester Formula: C17H20ClN3O3S MolecularWeight: 381.877

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)CSC2=NC3=C(N2)C=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)C(=O)CSC2=NC3=C(N2)C=C(C=C3)Cl

InChI

InChI=1S/C17H20ClN3O3S/c1-2-24-16(23)11-4-3-7-21(9-11)15(22)10-25-17-19-13-6-5-12(18)8-14(13)20-17/h5-6,8,11H,2-4,7,9-10H2,1H3,(H,19,20)/t11-/m0/s1