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

Systemtic Name: 4-[[(5Z)-5-[(3-bromanyl-5-methoxy-4-prop-2-ynoxy-phenyl)methylidene]-3-ethyl-4-oxidanylidene-1,3-thiazolidin-2-ylidene]amino]benzoic acid Openeye Name: 4-[[(5Z)-5-[(3-bromo-5-methoxy-4-prop-2-ynoxy-phenyl)methylene]-3-ethyl-4-oxo-thiazolidin-2-ylidene]amino]benzoic acid CAS Name: 4-[[(5Z)-5-[(3-bromo-5-methoxy-4-prop-2-ynoxyphenyl)methylidene]-3-ethyl-4-oxo-2-thiazolidinylidene]amino]benzoic acid IUPAC Name: 4-[[(5Z)-5-[(3-bromo-5-methoxy-4-prop-2-ynoxyphenyl)methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoic acid Traditional Name: 4-[[(5Z)-5-(3-bromo-5-methoxy-4-propargyloxy-benzylidene)-3-ethyl-4-keto-thiazolidin-2-ylidene]amino]benzoic acid Formula: C23H19BrN2O5S MolecularWeight: 515.37636

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=CC2=CC(=C(C(=C2)Br)OCC#C)OC)SC1=NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CCN1C(=O)/C(=C/C2=CC(=C(C(=C2)Br)OCC#C)OC)/SC1=NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C23H19BrN2O5S/c1-4-10-31-20-17(24)11-14(12-18(20)30-3)13-19-21(27)26(5-2)23(32-19)25-16-8-6-15(7-9-16)22(28)29/h1,6-9,11-13H,5,10H2,2-3H3,(H,28,29)/b19-13-,25-23?