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

Systemtic Name: 3-[[(5Z)-3-ethyl-5-[[3-iodanyl-5-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylidene]-4-oxidanylidene-1,3-thiazolidin-2-ylidene]amino]benzoic acid Openeye Name: 3-[[(5Z)-3-ethyl-5-[[3-iodo-5-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylene]-4-oxo-thiazolidin-2-ylidene]amino]benzoic acid CAS Name: 3-[[(5Z)-3-ethyl-5-[[3-iodo-5-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylidene]-4-oxo-2-thiazolidinylidene]amino]benzoic acid IUPAC Name: 3-[[(5Z)-3-ethyl-5-[[3-iodo-5-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoic acid Traditional Name: 3-[[(5Z)-3-ethyl-5-[3-iodo-5-methoxy-4-(4-nitrobenzyl)oxy-benzylidene]-4-keto-thiazolidin-2-ylidene]amino]benzoic acid Formula: C27H22IN3O7S MolecularWeight: 659.44895

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=CC2=CC(=C(C(=C2)I)OCC3=CC=C(C=C3)[N+](=O)[O-])OC)SC1=NC4=CC=CC(=C4)C(=O)O

Isomeric SMILES

CCN1C(=O)/C(=C/C2=CC(=C(C(=C2)I)OCC3=CC=C(C=C3)[N+](=O)[O-])OC)/SC1=NC4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C27H22IN3O7S/c1-3-30-25(32)23(39-27(30)29-19-6-4-5-18(14-19)26(33)34)13-17-11-21(28)24(22(12-17)37-2)38-15-16-7-9-20(10-8-16)31(35)36/h4-14H,3,15H2,1-2H3,(H,33,34)/b23-13-,29-27?