ethyl 4-[2-[1-(4-ethoxyphenyl)benzimidazol-2-yl]sulfanylethanoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 4-[2-[1-(4-ethoxyphenyl)benzimidazol-2-yl]sulfanylethanoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 4-[2-[1-(4-ethoxyphenyl)benzimidazol-2-yl]sulfanylacetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 4-[2-[[1-(4-ethoxyphenyl)-2-benzimidazolyl]thio]-1-oxoethyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[1-(4-ethoxyphenyl)benzimidazol-2-yl]sulfanylacetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 2,5-dimethyl-4-[2-[(1-p-phenetylbenzimidazol-2-yl)thio]acetyl]-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C26H27N3O4S MolecularWeight: 477.57528

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C3=CC=CC=C3N=C2SCC(=O)C4=C(NC(=C4C(=O)OCC)C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C3=CC=CC=C3N=C2SCC(=O)C4=C(NC(=C4C(=O)OCC)C)C

InChI

InChI=1S/C26H27N3O4S/c1-5-32-19-13-11-18(12-14-19)29-21-10-8-7-9-20(21)28-26(29)34-15-22(30)23-16(3)27-17(4)24(23)25(31)33-6-2/h7-14,27H,5-6,15H2,1-4H3