3-[[(5E)-5-[(3-bromanyl-4-propan-2-yloxy-phenyl)methylidene]-3-methyl-4-oxidanylidene-1,3-thiazolidin-2-ylidene]amino]benzoic acid

Systemtic Name: 3-[[(5E)-5-[(3-bromanyl-4-propan-2-yloxy-phenyl)methylidene]-3-methyl-4-oxidanylidene-1,3-thiazolidin-2-ylidene]amino]benzoic acid Openeye Name: 3-[[(5E)-5-[(3-bromo-4-isopropoxy-phenyl)methylene]-3-methyl-4-oxo-thiazolidin-2-ylidene]amino]benzoic acid CAS Name: 3-[[(5E)-5-[(3-bromo-4-propan-2-yloxyphenyl)methylidene]-3-methyl-4-oxo-2-thiazolidinylidene]amino]benzoic acid IUPAC Name: 3-[[(5E)-5-[(3-bromo-4-propan-2-yloxyphenyl)methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoic acid Traditional Name: 3-[[(5E)-5-(3-bromo-4-isopropoxy-benzylidene)-4-keto-3-methyl-thiazolidin-2-ylidene]amino]benzoic acid Formula: C21H19BrN2O4S MolecularWeight: 475.35556

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)C=C2C(=O)N(C(=NC3=CC=CC(=C3)C(=O)O)S2)C)Br

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)/C=C/2\C(=O)N(C(=NC3=CC=CC(=C3)C(=O)O)S2)C)Br

InChI

InChI=1S/C21H19BrN2O4S/c1-12(2)28-17-8-7-13(9-16(17)22)10-18-19(25)24(3)21(29-18)23-15-6-4-5-14(11-15)20(26)27/h4-12H,1-3H3,(H,26,27)/b18-10+,23-21?