methyl 3-[2,5-dimethyl-3-[2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylethanoyl]pyrrol-1-yl]propanoate

Systemtic Name: methyl 3-[2,5-dimethyl-3-[2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylethanoyl]pyrrol-1-yl]propanoate Openeye Name: methyl 3-[3-[2-(1-allylbenzimidazol-2-yl)sulfanylacetyl]-2,5-dimethyl-pyrrol-1-yl]propanoate CAS Name: 3-[2,5-dimethyl-3-[1-oxo-2-[(1-prop-2-enyl-2-benzimidazolyl)thio]ethyl]-1-pyrrolyl]propanoic acid methyl ester IUPAC Name: methyl 3-[2,5-dimethyl-3-[2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylacetyl]pyrrol-1-yl]propanoate Traditional Name: 3-[3-[2-[(1-allylbenzimidazol-2-yl)thio]acetyl]-2,5-dimethyl-pyrrol-1-yl]propionic acid methyl ester Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC(=O)OC)C)C(=O)CSC2=NC3=CC=CC=C3N2CC=C

Isomeric SMILES

CC1=CC(=C(N1CCC(=O)OC)C)C(=O)CSC2=NC3=CC=CC=C3N2CC=C

InChI

InChI=1S/C22H25N3O3S/c1-5-11-25-19-9-7-6-8-18(19)23-22(25)29-14-20(26)17-13-15(2)24(16(17)3)12-10-21(27)28-4/h5-9,13H,1,10-12,14H2,2-4H3