3-[[2-bromanyl-4-[(3-cyclohexyl-2-cyclohexylimino-4-oxidanylidene-1,3-thiazolidin-5-ylidene)methyl]-6-ethoxy-phenoxy]methyl]benzoic acid

Systemtic Name: 3-[[2-bromanyl-4-[(3-cyclohexyl-2-cyclohexylimino-4-oxidanylidene-1,3-thiazolidin-5-ylidene)methyl]-6-ethoxy-phenoxy]methyl]benzoic acid Openeye Name: 3-[[2-bromo-4-[(3-cyclohexyl-2-cyclohexylimino-4-oxo-thiazolidin-5-ylidene)methyl]-6-ethoxy-phenoxy]methyl]benzoic acid CAS Name: 3-[[2-bromo-4-[(3-cyclohexyl-2-cyclohexylimino-4-oxo-5-thiazolidinylidene)methyl]-6-ethoxyphenoxy]methyl]benzoic acid IUPAC Name: 3-[[2-bromo-4-[(3-cyclohexyl-2-cyclohexylimino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]-6-ethoxyphenoxy]methyl]benzoic acid Traditional Name: 3-[[2-bromo-4-[(3-cyclohexyl-2-cyclohexylimino-4-keto-thiazolidin-5-ylidene)methyl]-6-ethoxy-phenoxy]methyl]benzoic acid Formula: C32H37BrN2O5S MolecularWeight: 641.61558

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C2C(=O)N(C(=NC3CCCCC3)S2)C4CCCCC4)Br)OCC5=CC=CC(=C5)C(=O)O

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C=C2C(=O)N(C(=NC3CCCCC3)S2)C4CCCCC4)Br)OCC5=CC=CC(=C5)C(=O)O

InChI

InChI=1S/C32H37BrN2O5S/c1-2-39-27-18-22(17-26(33)29(27)40-20-21-10-9-11-23(16-21)31(37)38)19-28-30(36)35(25-14-7-4-8-15-25)32(41-28)34-24-12-5-3-6-13-24/h9-11,16-19,24-25H,2-8,12-15,20H2,1H3,(H,37,38)