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

Systemtic Name: ethyl 2,4-dimethyl-5-[2-(1-phenethylbenzimidazol-2-yl)sulfanylethanoyl]-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2,4-dimethyl-5-[2-(1-phenethylbenzimidazol-2-yl)sulfanylacetyl]-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[1-oxo-2-[(1-phenethyl-2-benzimidazolyl)thio]ethyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,4-dimethyl-5-[2-(1-phenethylbenzimidazol-2-yl)sulfanylacetyl]-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-[2-[(1-phenethylbenzimidazol-2-yl)thio]acetyl]-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C26H27N3O3S MolecularWeight: 461.57588

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)CSC2=NC3=CC=CC=C3N2CCC4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)CSC2=NC3=CC=CC=C3N2CCC4=CC=CC=C4)C

InChI

InChI=1S/C26H27N3O3S/c1-4-32-25(31)23-17(2)24(27-18(23)3)22(30)16-33-26-28-20-12-8-9-13-21(20)29(26)15-14-19-10-6-5-7-11-19/h5-13,27H,4,14-16H2,1-3H3