ethyl 1-[2-[1-(4-ethoxyphenyl)benzimidazol-2-yl]sulfanylpropanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-[1-(4-ethoxyphenyl)benzimidazol-2-yl]sulfanylpropanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-[1-(4-ethoxyphenyl)benzimidazol-2-yl]sulfanylpropanoyl]piperidine-4-carboxylate CAS Name: 1-[2-[[1-(4-ethoxyphenyl)-2-benzimidazolyl]thio]-1-oxopropyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[1-(4-ethoxyphenyl)benzimidazol-2-yl]sulfanylpropanoyl]piperidine-4-carboxylate Traditional Name: 1-[2-[(1-p-phenetylbenzimidazol-2-yl)thio]propanoyl]isonipecotic acid ethyl ester Formula: C26H31N3O4S MolecularWeight: 481.60704

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C3=CC=CC=C3N=C2SC(C)C(=O)N4CCC(CC4)C(=O)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C3=CC=CC=C3N=C2SC(C)C(=O)N4CCC(CC4)C(=O)OCC

InChI

InChI=1S/C26H31N3O4S/c1-4-32-21-12-10-20(11-13-21)29-23-9-7-6-8-22(23)27-26(29)34-18(3)24(30)28-16-14-19(15-17-28)25(31)33-5-2/h6-13,18-19H,4-5,14-17H2,1-3H3