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

Systemtic Name: methyl 2,4-dimethyl-5-[2-(1-methylbenzimidazol-2-yl)sulfanylethanoyl]-1H-pyrrole-3-carboxylate Openeye Name: methyl 2,4-dimethyl-5-[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[2-[(1-methyl-2-benzimidazolyl)thio]-1-oxoethyl]-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 2,4-dimethyl-5-[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-[2-[(1-methylbenzimidazol-2-yl)thio]acetyl]-1H-pyrrole-3-carboxylic acid methyl ester Formula: C18H19N3O3S MolecularWeight: 357.42676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)CSC2=NC3=CC=CC=C3N2C

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)CSC2=NC3=CC=CC=C3N2C

InChI

InChI=1S/C18H19N3O3S/c1-10-15(17(23)24-4)11(2)19-16(10)14(22)9-25-18-20-12-7-5-6-8-13(12)21(18)3/h5-8,19H,9H2,1-4H3