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

Systemtic Name: [2-[[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]-methyl-amino]-2-oxidanylidene-ethyl] 3-phenylsulfanylpropanoate Openeye Name: [2-[[2-(4-fluoroanilino)-2-oxo-ethyl]-methyl-amino]-2-oxo-ethyl] 3-phenylsulfanylpropanoate CAS Name: 3-(phenylthio)propanoic acid [2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 3-phenylsulfanylpropanoate Traditional Name: 3-(phenylthio)propionic acid [2-[[2-(4-fluoroanilino)-2-keto-ethyl]-methyl-amino]-2-keto-ethyl] ester Formula: C20H21FN2O4S MolecularWeight: 404.455143

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=CC=C(C=C1)F)C(=O)COC(=O)CCSC2=CC=CC=C2

Isomeric SMILES

CN(CC(=O)NC1=CC=C(C=C1)F)C(=O)COC(=O)CCSC2=CC=CC=C2

InChI

InChI=1S/C20H21FN2O4S/c1-23(13-18(24)22-16-9-7-15(21)8-10-16)19(25)14-27-20(26)11-12-28-17-5-3-2-4-6-17/h2-10H,11-14H2,1H3,(H,22,24)