4-[[(5Z)-5-[(5-bromanyl-2-prop-2-ynoxy-phenyl)methylidene]-3-methyl-4-oxidanylidene-1,3-thiazolidin-2-ylidene]amino]benzoate

Systemtic Name: 4-[[(5Z)-5-[(5-bromanyl-2-prop-2-ynoxy-phenyl)methylidene]-3-methyl-4-oxidanylidene-1,3-thiazolidin-2-ylidene]amino]benzoate Openeye Name: 4-[[(5Z)-5-[(5-bromo-2-prop-2-ynoxy-phenyl)methylene]-3-methyl-4-oxo-thiazolidin-2-ylidene]amino]benzoate CAS Name: 4-[[(5Z)-5-[(5-bromo-2-prop-2-ynoxyphenyl)methylidene]-3-methyl-4-oxo-2-thiazolidinylidene]amino]benzoate IUPAC Name: 4-[[(5Z)-5-[(5-bromo-2-prop-2-ynoxyphenyl)methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoate Traditional Name: 4-[[(5Z)-5-(5-bromo-2-propargyloxy-benzylidene)-4-keto-3-methyl-thiazolidin-2-ylidene]amino]benzoate Formula: C21H14BrN2O4S- MolecularWeight: 470.31586

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=CC2=C(C=CC(=C2)Br)OCC#C)SC1=NC3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

CN1C(=O)/C(=C/C2=C(C=CC(=C2)Br)OCC#C)/SC1=NC3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C21H15BrN2O4S/c1-3-10-28-17-9-6-15(22)11-14(17)12-18-19(25)24(2)21(29-18)23-16-7-4-13(5-8-16)20(26)27/h1,4-9,11-12H,10H2,2H3,(H,26,27)/p-1/b18-12-,23-21?