[2-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxidanylidene-ethyl] 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate

Systemtic Name: [2-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxidanylidene-ethyl] 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate Openeye Name: [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxo-ethyl] 2-(4-fluorophenyl)thiazole-4-carboxylate CAS Name: 2-(4-fluorophenyl)-4-thiazolecarboxylic acid [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] ester IUPAC Name: [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate Traditional Name: 2-(4-fluorophenyl)thiazole-4-carboxylic acid [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-keto-ethyl] ester Formula: C20H17FN2O4S MolecularWeight: 400.423383

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)COC(=O)C2=CSC(=N2)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)COC(=O)C2=CSC(=N2)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H17FN2O4S/c1-10-17(12(3)24)11(2)22-18(10)16(25)8-27-20(26)15-9-28-19(23-15)13-4-6-14(21)7-5-13/h4-7,9,22H,8H2,1-3H3