2-[4-[[(5Z)-5-[[5-(5-fluoranyl-2-methoxy-phenyl)-2-oxidanyl-phenyl]methylidene]-4-oxidanylidene-1,3-thiazol-2-yl]amino]phenyl]octanedioic acid

Systemtic Name: 2-[4-[[(5Z)-5-[[5-(5-fluoranyl-2-methoxy-phenyl)-2-oxidanyl-phenyl]methylidene]-4-oxidanylidene-1,3-thiazol-2-yl]amino]phenyl]octanedioic acid Openeye Name: 2-[4-[[(5Z)-5-[[5-(5-fluoro-2-methoxy-phenyl)-2-hydroxy-phenyl]methylene]-4-oxo-thiazol-2-yl]amino]phenyl]octanedioic acid CAS Name: 2-[4-[[(5Z)-5-[[5-(5-fluoro-2-methoxyphenyl)-2-hydroxyphenyl]methylidene]-4-oxo-2-thiazolyl]amino]phenyl]octanedioic acid IUPAC Name: 2-[4-[[(5Z)-5-[[5-(5-fluoro-2-methoxyphenyl)-2-hydroxyphenyl]methylidene]-4-oxo-1,3-thiazol-2-yl]amino]phenyl]octanedioic acid Traditional Name: 2-[4-[[(5Z)-5-[5-(5-fluoro-2-methoxy-phenyl)-2-hydroxy-benzylidene]-4-keto-2-thiazolin-2-yl]amino]phenyl]suberic acid Formula: C31H29FN2O7S MolecularWeight: 592.634563

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)F)C2=CC(=C(C=C2)O)C=C3C(=O)N=C(S3)NC4=CC=C(C=C4)C(CCCCCC(=O)O)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)F)C2=CC(=C(C=C2)O)/C=C\3/C(=O)N=C(S3)NC4=CC=C(C=C4)C(CCCCCC(=O)O)C(=O)O

InChI

InChI=1S/C31H29FN2O7S/c1-41-26-14-10-21(32)17-24(26)19-9-13-25(35)20(15-19)16-27-29(38)34-31(42-27)33-22-11-7-18(8-12-22)23(30(39)40)5-3-2-4-6-28(36)37/h7-17,23,35H,2-6H2,1H3,(H,36,37)(H,39,40)(H,33,34,38)/b27-16-