3-[[(5Z)-5-[[2-bromanyl-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-3-ethyl-4-oxidanylidene-1,3-thiazolidin-2-ylidene]amino]benzoic acid

Systemtic Name: 3-[[(5Z)-5-[[2-bromanyl-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-3-ethyl-4-oxidanylidene-1,3-thiazolidin-2-ylidene]amino]benzoic acid Openeye Name: 3-[[(5Z)-5-[[2-bromo-5-ethoxy-4-(p-tolylmethoxy)phenyl]methylene]-3-ethyl-4-oxo-thiazolidin-2-ylidene]amino]benzoic acid CAS Name: 3-[[(5Z)-5-[[2-bromo-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-3-ethyl-4-oxo-2-thiazolidinylidene]amino]benzoic acid IUPAC Name: 3-[[(5Z)-5-[[2-bromo-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoic acid Traditional Name: 3-[[(5Z)-5-[2-bromo-5-ethoxy-4-(4-methylbenzyl)oxy-benzylidene]-3-ethyl-4-keto-thiazolidin-2-ylidene]amino]benzoic acid Formula: C29H27BrN2O5S MolecularWeight: 595.50408

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=CC2=CC(=C(C=C2Br)OCC3=CC=C(C=C3)C)OCC)SC1=NC4=CC=CC(=C4)C(=O)O

Isomeric SMILES

CCN1C(=O)/C(=C/C2=CC(=C(C=C2Br)OCC3=CC=C(C=C3)C)OCC)/SC1=NC4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C29H27BrN2O5S/c1-4-32-27(33)26(38-29(32)31-22-8-6-7-20(13-22)28(34)35)15-21-14-24(36-5-2)25(16-23(21)30)37-17-19-11-9-18(3)10-12-19/h6-16H,4-5,17H2,1-3H3,(H,34,35)/b26-15-,31-29?