[2-[[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]-methyl-amino]-2-oxidanylidene-ethyl] 2-naphthalen-2-ylsulfanylethanoate

Systemtic Name: [2-[[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]-methyl-amino]-2-oxidanylidene-ethyl] 2-naphthalen-2-ylsulfanylethanoate Openeye Name: [2-[[2-(4-fluoroanilino)-2-oxo-ethyl]-methyl-amino]-2-oxo-ethyl] 2-(2-naphthylsulfanyl)acetate CAS Name: 2-(2-naphthalenylthio)acetic acid [2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate Traditional Name: 2-(2-naphthylthio)acetic acid [2-[[2-(4-fluoroanilino)-2-keto-ethyl]-methyl-amino]-2-keto-ethyl] ester Formula: C23H21FN2O4S MolecularWeight: 440.487243

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=CC=C(C=C1)F)C(=O)COC(=O)CSC2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CN(CC(=O)NC1=CC=C(C=C1)F)C(=O)COC(=O)CSC2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C23H21FN2O4S/c1-26(13-21(27)25-19-9-7-18(24)8-10-19)22(28)14-30-23(29)15-31-20-11-6-16-4-2-3-5-17(16)12-20/h2-12H,13-15H2,1H3,(H,25,27)