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

Systemtic Name: [4-chloranyl-1-(4-fluorophenyl)-1-oxidanylidene-butan-2-yl] 4-oxidanylidene-4-[(4-phenylsulfanylphenyl)amino]butanoate Openeye Name: [3-chloro-1-(4-fluorobenzoyl)propyl] 4-oxo-4-(4-phenylsulfanylanilino)butanoate CAS Name: 4-oxo-4-[4-(phenylthio)anilino]butanoic acid [4-chloro-1-(4-fluorophenyl)-1-oxobutan-2-yl] ester IUPAC Name: [4-chloro-1-(4-fluorophenyl)-1-oxobutan-2-yl] 4-oxo-4-(4-phenylsulfanylanilino)butanoate Traditional Name: 4-keto-4-[4-(phenylthio)anilino]butyric acid [3-chloro-1-(4-fluorobenzoyl)propyl] ester Formula: C26H23ClFNO4S MolecularWeight: 499.981523

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=CC=C(C=C2)NC(=O)CCC(=O)OC(CCCl)C(=O)C3=CC=C(C=C3)F

Isomeric SMILES

C1=CC=C(C=C1)SC2=CC=C(C=C2)NC(=O)CCC(=O)OC(CCCl)C(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C26H23ClFNO4S/c27-17-16-23(26(32)18-6-8-19(28)9-7-18)33-25(31)15-14-24(30)29-20-10-12-22(13-11-20)34-21-4-2-1-3-5-21/h1-13,23H,14-17H2,(H,29,30)