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

Systemtic Name: methyl 5-[2-(1-hexylbenzimidazol-2-yl)sulfanylethanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: methyl 5-[2-(1-hexylbenzimidazol-2-yl)sulfanylacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[2-[(1-hexyl-2-benzimidazolyl)thio]-1-oxoethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 5-[2-(1-hexylbenzimidazol-2-yl)sulfanylacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-[(1-hexylbenzimidazol-2-yl)thio]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester Formula: C23H29N3O3S MolecularWeight: 427.55966

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=CC=CC=C2N=C1SCC(=O)C3=C(C(=C(N3)C)C(=O)OC)C

Isomeric SMILES

CCCCCCN1C2=CC=CC=C2N=C1SCC(=O)C3=C(C(=C(N3)C)C(=O)OC)C

InChI

InChI=1S/C23H29N3O3S/c1-5-6-7-10-13-26-18-12-9-8-11-17(18)25-23(26)30-14-19(27)21-15(2)20(16(3)24-21)22(28)29-4/h8-9,11-12,24H,5-7,10,13-14H2,1-4H3