methyl 5-[2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylpropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 5-[2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylpropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: methyl 5-[2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylpropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[2-[[1-(3-fluorophenyl)-2-imidazolyl]thio]-1-oxopropyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 5-[2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylpropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-[[1-(3-fluorophenyl)imidazol-2-yl]thio]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester Formula: C20H20FN3O3S MolecularWeight: 401.454503

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)C(C)SC2=NC=CN2C3=CC(=CC=C3)F

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)C(C)SC2=NC=CN2C3=CC(=CC=C3)F

InChI

InChI=1S/C20H20FN3O3S/c1-11-16(19(26)27-4)12(2)23-17(11)18(25)13(3)28-20-22-8-9-24(20)15-7-5-6-14(21)10-15/h5-10,13,23H,1-4H3