ethyl 1-[2-[5-chloranyl-1-(phenylmethyl)benzimidazol-2-yl]sulfanylethanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-[5-chloranyl-1-(phenylmethyl)benzimidazol-2-yl]sulfanylethanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-(1-benzyl-5-chloro-benzimidazol-2-yl)sulfanylacetyl]piperidine-4-carboxylate CAS Name: 1-[2-[[5-chloro-1-(phenylmethyl)-2-benzimidazolyl]thio]-1-oxoethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanylacetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[(1-benzyl-5-chloro-benzimidazol-2-yl)thio]acetyl]isonipecotic acid ethyl ester Formula: C24H26ClN3O3S MolecularWeight: 471.99954

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)CSC2=NC3=C(N2CC4=CC=CC=C4)C=CC(=C3)Cl

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)CSC2=NC3=C(N2CC4=CC=CC=C4)C=CC(=C3)Cl

InChI

InChI=1S/C24H26ClN3O3S/c1-2-31-23(30)18-10-12-27(13-11-18)22(29)16-32-24-26-20-14-19(25)8-9-21(20)28(24)15-17-6-4-3-5-7-17/h3-9,14,18H,2,10-13,15-16H2,1H3