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

Systemtic Name: ethyl 1-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propanoyl]piperidine-4-carboxylate CAS Name: 1-[2-[(6-methyl-1H-benzimidazol-2-yl)thio]-1-oxopropyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propanoyl]piperidine-4-carboxylate Traditional Name: 1-[2-[(6-methyl-1H-benzimidazol-2-yl)thio]propanoyl]isonipecotic acid ethyl ester Formula: C19H25N3O3S MolecularWeight: 375.4851

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C(C)SC2=NC3=C(N2)C=C(C=C3)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C(C)SC2=NC3=C(N2)C=C(C=C3)C

InChI

InChI=1S/C19H25N3O3S/c1-4-25-18(24)14-7-9-22(10-8-14)17(23)13(3)26-19-20-15-6-5-12(2)11-16(15)21-19/h5-6,11,13-14H,4,7-10H2,1-3H3,(H,20,21)