[2-[(4-fluorophenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 4-(5-chloranylthiophen-2-yl)-4-oxidanylidene-butanoate

Systemtic Name: [2-[(4-fluorophenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 4-(5-chloranylthiophen-2-yl)-4-oxidanylidene-butanoate Openeye Name: [2-(4-fluoroanilino)-2-oxo-1-phenyl-ethyl] 4-(5-chloro-2-thienyl)-4-oxo-butanoate CAS Name: 4-(5-chloro-2-thiophenyl)-4-oxobutanoic acid [2-(4-fluoroanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 4-(5-chlorothiophen-2-yl)-4-oxobutanoate Traditional Name: 4-(5-chloro-2-thienyl)-4-keto-butyric acid [2-(4-fluoroanilino)-2-keto-1-phenyl-ethyl] ester Formula: C22H17ClFNO4S MolecularWeight: 445.891083

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)NC2=CC=C(C=C2)F)OC(=O)CCC(=O)C3=CC=C(S3)Cl

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)NC2=CC=C(C=C2)F)OC(=O)CCC(=O)C3=CC=C(S3)Cl

InChI

InChI=1S/C22H17ClFNO4S/c23-19-12-11-18(30-19)17(26)10-13-20(27)29-21(14-4-2-1-3-5-14)22(28)25-16-8-6-15(24)7-9-16/h1-9,11-12,21H,10,13H2,(H,25,28)