[1-[(4-fluorophenyl)amino]-1-oxidanylidene-butan-2-yl] 4-(4-methylsulfanylphenyl)-4-oxidanylidene-butanoate

Systemtic Name: [1-[(4-fluorophenyl)amino]-1-oxidanylidene-butan-2-yl] 4-(4-methylsulfanylphenyl)-4-oxidanylidene-butanoate Openeye Name: 1-[(4-fluorophenyl)carbamoyl]propyl 4-(4-methylsulfanylphenyl)-4-oxo-butanoate CAS Name: 4-[4-(methylthio)phenyl]-4-oxobutanoic acid [1-(4-fluoroanilino)-1-oxobutan-2-yl] ester IUPAC Name: [1-(4-fluoroanilino)-1-oxobutan-2-yl] 4-(4-methylsulfanylphenyl)-4-oxobutanoate Traditional Name: 4-keto-4-[4-(methylthio)phenyl]butyric acid 1-[(4-fluorophenyl)carbamoyl]propyl ester Formula: C21H22FNO4S MolecularWeight: 403.467083

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)F)OC(=O)CCC(=O)C2=CC=C(C=C2)SC

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)F)OC(=O)CCC(=O)C2=CC=C(C=C2)SC

InChI

InChI=1S/C21H22FNO4S/c1-3-19(21(26)23-16-8-6-15(22)7-9-16)27-20(25)13-12-18(24)14-4-10-17(28-2)11-5-14/h4-11,19H,3,12-13H2,1-2H3,(H,23,26)