methyl 1-[2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylethanoyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylethanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylacetyl]piperidine-4-carboxylate CAS Name: 1-[2-[[1-(4-methoxyphenyl)-2-benzimidazolyl]thio]-1-oxoethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylacetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[[1-(4-methoxyphenyl)benzimidazol-2-yl]thio]acetyl]isonipecotic acid methyl ester Formula: C23H25N3O4S MolecularWeight: 439.5273

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C3=CC=CC=C3N=C2SCC(=O)N4CCC(CC4)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)N2C3=CC=CC=C3N=C2SCC(=O)N4CCC(CC4)C(=O)OC

InChI

InChI=1S/C23H25N3O4S/c1-29-18-9-7-17(8-10-18)26-20-6-4-3-5-19(20)24-23(26)31-15-21(27)25-13-11-16(12-14-25)22(28)30-2/h3-10,16H,11-15H2,1-2H3