[4-chloranyl-1-(4-fluorophenyl)-1-oxidanylidene-butan-2-yl] 1,3-bis(oxidanylidene)-2-(4-phenylsulfanylphenyl)isoindole-5-carboxylate

Systemtic Name: [4-chloranyl-1-(4-fluorophenyl)-1-oxidanylidene-butan-2-yl] 1,3-bis(oxidanylidene)-2-(4-phenylsulfanylphenyl)isoindole-5-carboxylate Openeye Name: [3-chloro-1-(4-fluorobenzoyl)propyl] 1,3-dioxo-2-(4-phenylsulfanylphenyl)isoindoline-5-carboxylate CAS Name: 1,3-dioxo-2-[4-(phenylthio)phenyl]-5-isoindolecarboxylic acid [4-chloro-1-(4-fluorophenyl)-1-oxobutan-2-yl] ester IUPAC Name: [4-chloro-1-(4-fluorophenyl)-1-oxobutan-2-yl] 1,3-dioxo-2-(4-phenylsulfanylphenyl)isoindole-5-carboxylate Traditional Name: 1,3-diketo-2-[4-(phenylthio)phenyl]isoindoline-5-carboxylic acid [3-chloro-1-(4-fluorobenzoyl)propyl] ester Formula: C31H21ClFNO5S MolecularWeight: 574.018543

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=CC=C(C=C2)N3C(=O)C4=C(C3=O)C=C(C=C4)C(=O)OC(CCCl)C(=O)C5=CC=C(C=C5)F

Isomeric SMILES

C1=CC=C(C=C1)SC2=CC=C(C=C2)N3C(=O)C4=C(C3=O)C=C(C=C4)C(=O)OC(CCCl)C(=O)C5=CC=C(C=C5)F

InChI

InChI=1S/C31H21ClFNO5S/c32-17-16-27(28(35)19-6-9-21(33)10-7-19)39-31(38)20-8-15-25-26(18-20)30(37)34(29(25)36)22-11-13-24(14-12-22)40-23-4-2-1-3-5-23/h1-15,18,27H,16-17H2