[4-chloranyl-1-(4-fluorophenyl)-1-oxidanylidene-butan-2-yl] 5-oxidanylidene-5-[(4-phenylsulfanylphenyl)amino]pentanoate

Systemtic Name: [4-chloranyl-1-(4-fluorophenyl)-1-oxidanylidene-butan-2-yl] 5-oxidanylidene-5-[(4-phenylsulfanylphenyl)amino]pentanoate Openeye Name: [3-chloro-1-(4-fluorobenzoyl)propyl] 5-oxo-5-(4-phenylsulfanylanilino)pentanoate CAS Name: 5-oxo-5-[4-(phenylthio)anilino]pentanoic acid [4-chloro-1-(4-fluorophenyl)-1-oxobutan-2-yl] ester IUPAC Name: [4-chloro-1-(4-fluorophenyl)-1-oxobutan-2-yl] 5-oxo-5-(4-phenylsulfanylanilino)pentanoate Traditional Name: 5-keto-5-[4-(phenylthio)anilino]valeric acid [3-chloro-1-(4-fluorobenzoyl)propyl] ester Formula: C27H25ClFNO4S MolecularWeight: 514.008103

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C27H25ClFNO4S/c28-18-17-24(27(33)19-9-11-20(29)12-10-19)34-26(32)8-4-7-25(31)30-21-13-15-23(16-14-21)35-22-5-2-1-3-6-22/h1-3,5-6,9-16,24H,4,7-8,17-18H2,(H,30,31)