3-[[2-bromanyl-4-[(3-ethyl-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy]methyl]benzoic acid

Systemtic Name: 3-[[2-bromanyl-4-[(3-ethyl-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy]methyl]benzoic acid Openeye Name: 3-[[2-bromo-4-[(3-ethyl-4-oxo-2-thioxo-thiazolidin-5-ylidene)methyl]phenoxy]methyl]benzoic acid CAS Name: 3-[[2-bromo-4-[(3-ethyl-4-oxo-2-sulfanylidene-5-thiazolidinylidene)methyl]phenoxy]methyl]benzoic acid IUPAC Name: 3-[[2-bromo-4-[(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy]methyl]benzoic acid Traditional Name: 3-[[2-bromo-4-[(3-ethyl-4-keto-2-thioxo-thiazolidin-5-ylidene)methyl]phenoxy]methyl]benzoic acid Formula: C20H16BrNO4S2 MolecularWeight: 478.37934

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=CC2=CC(=C(C=C2)OCC3=CC=CC(=C3)C(=O)O)Br)SC1=S

Isomeric SMILES

CCN1C(=O)C(=CC2=CC(=C(C=C2)OCC3=CC=CC(=C3)C(=O)O)Br)SC1=S

InChI

InChI=1S/C20H16BrNO4S2/c1-2-22-18(23)17(28-20(22)27)10-12-6-7-16(15(21)9-12)26-11-13-4-3-5-14(8-13)19(24)25/h3-10H,2,11H2,1H3,(H,24,25)