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

Systemtic Name: 3-[[(5Z)-5-[[4-[(2-cyanophenyl)methoxy]-3-iodanyl-5-methoxy-phenyl]methylidene]-3-methyl-4-oxidanylidene-1,3-thiazolidin-2-ylidene]amino]benzoic acid Openeye Name: 3-[[(5Z)-5-[[4-[(2-cyanophenyl)methoxy]-3-iodo-5-methoxy-phenyl]methylene]-3-methyl-4-oxo-thiazolidin-2-ylidene]amino]benzoic acid CAS Name: 3-[[(5Z)-5-[[4-[(2-cyanophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylidene]-3-methyl-4-oxo-2-thiazolidinylidene]amino]benzoic acid IUPAC Name: 3-[[(5Z)-5-[[4-[(2-cyanophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoic acid Traditional Name: 3-[[(5Z)-5-[4-(2-cyanobenzyl)oxy-3-iodo-5-methoxy-benzylidene]-4-keto-3-methyl-thiazolidin-2-ylidene]amino]benzoic acid Formula: C27H20IN3O5S MolecularWeight: 625.43427

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=CC2=CC(=C(C(=C2)I)OCC3=CC=CC=C3C#N)OC)SC1=NC4=CC=CC(=C4)C(=O)O

Isomeric SMILES

CN1C(=O)/C(=C/C2=CC(=C(C(=C2)I)OCC3=CC=CC=C3C#N)OC)/SC1=NC4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C27H20IN3O5S/c1-31-25(32)23(37-27(31)30-20-9-5-8-17(13-20)26(33)34)12-16-10-21(28)24(22(11-16)35-2)36-15-19-7-4-3-6-18(19)14-29/h3-13H,15H2,1-2H3,(H,33,34)/b23-12-,30-27?