[2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]ethanoate

Systemtic Name: [2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]ethanoate Openeye Name: [2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl] 2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetate CAS Name: 2-[2-[(methylthio)methyl]-1-benzimidazolyl]acetic acid [2-(1-cyclopropyl-2,5-dimethyl-3-pyrrolyl)-2-oxoethyl] ester IUPAC Name: [2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetate Traditional Name: 2-[2-[(methylthio)methyl]benzimidazol-1-yl]acetic acid [2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CC2)C)C(=O)COC(=O)CN3C4=CC=CC=C4N=C3CSC

Isomeric SMILES

CC1=CC(=C(N1C2CC2)C)C(=O)COC(=O)CN3C4=CC=CC=C4N=C3CSC

InChI

InChI=1S/C22H25N3O3S/c1-14-10-17(15(2)25(14)16-8-9-16)20(26)12-28-22(27)11-24-19-7-5-4-6-18(19)23-21(24)13-29-3/h4-7,10,16H,8-9,11-13H2,1-3H3