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

Systemtic Name: ethyl 5-[2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylethanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[2-[[1-(3-fluorophenyl)-2-imidazolyl]thio]-1-oxoethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-[[1-(3-fluorophenyl)imidazol-2-yl]thio]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C20H20FN3O3S MolecularWeight: 401.454503

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)CSC2=NC=CN2C3=CC(=CC=C3)F)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)CSC2=NC=CN2C3=CC(=CC=C3)F)C

InChI

InChI=1S/C20H20FN3O3S/c1-4-27-19(26)17-12(2)18(23-13(17)3)16(25)11-28-20-22-8-9-24(20)15-7-5-6-14(21)10-15/h5-10,23H,4,11H2,1-3H3