[2-[[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]-methyl-amino]-2-oxidanylidene-ethyl] 3-phenylthiophene-2-carboxylate

Systemtic Name: [2-[[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]-methyl-amino]-2-oxidanylidene-ethyl] 3-phenylthiophene-2-carboxylate Openeye Name: [2-[[2-(4-fluoroanilino)-2-oxo-ethyl]-methyl-amino]-2-oxo-ethyl] 3-phenylthiophene-2-carboxylate CAS Name: 3-phenyl-2-thiophenecarboxylic acid [2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 3-phenylthiophene-2-carboxylate Traditional Name: 3-phenylthiophene-2-carboxylic acid [2-[[2-(4-fluoroanilino)-2-keto-ethyl]-methyl-amino]-2-keto-ethyl] ester Formula: C22H19FN2O4S MolecularWeight: 426.460663

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=CC=C(C=C1)F)C(=O)COC(=O)C2=C(C=CS2)C3=CC=CC=C3

Isomeric SMILES

CN(CC(=O)NC1=CC=C(C=C1)F)C(=O)COC(=O)C2=C(C=CS2)C3=CC=CC=C3

InChI

InChI=1S/C22H19FN2O4S/c1-25(13-19(26)24-17-9-7-16(23)8-10-17)20(27)14-29-22(28)21-18(11-12-30-21)15-5-3-2-4-6-15/h2-12H,13-14H2,1H3,(H,24,26)