ethyl 4-(4-fluorophenyl)-2-methyl-5-[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethanoyl]-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 4-(4-fluorophenyl)-2-methyl-5-[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethanoyl]-1H-pyrrole-3-carboxylate Openeye Name: ethyl 4-(4-fluorophenyl)-2-methyl-5-[2-(2-methylsulfanylanilino)-2-oxo-acetyl]-1H-pyrrole-3-carboxylate CAS Name: 4-(4-fluorophenyl)-2-methyl-5-[2-[2-(methylthio)anilino]-1,2-dioxoethyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-fluorophenyl)-2-methyl-5-[2-(2-methylsulfanylanilino)-2-oxoacetyl]-1H-pyrrole-3-carboxylate Traditional Name: 4-(4-fluorophenyl)-5-[2-keto-2-[2-(methylthio)anilino]acetyl]-2-methyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C23H21FN2O4S MolecularWeight: 440.487243

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C2=CC=C(C=C2)F)C(=O)C(=O)NC3=CC=CC=C3SC)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C2=CC=C(C=C2)F)C(=O)C(=O)NC3=CC=CC=C3SC)C

InChI

InChI=1S/C23H21FN2O4S/c1-4-30-23(29)18-13(2)25-20(19(18)14-9-11-15(24)12-10-14)21(27)22(28)26-16-7-5-6-8-17(16)31-3/h5-12,25H,4H2,1-3H3,(H,26,28)