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

Systemtic Name: ethyl 3-[[5-[(3-bromanyl-5-methoxy-4-prop-2-ynoxy-phenyl)methylidene]-3-ethyl-4-oxidanylidene-1,3-thiazolidin-2-ylidene]amino]benzoate Openeye Name: ethyl 3-[[5-[(3-bromo-5-methoxy-4-prop-2-ynoxy-phenyl)methylene]-3-ethyl-4-oxo-thiazolidin-2-ylidene]amino]benzoate CAS Name: 3-[[5-[(3-bromo-5-methoxy-4-prop-2-ynoxyphenyl)methylidene]-3-ethyl-4-oxo-2-thiazolidinylidene]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[5-[(3-bromo-5-methoxy-4-prop-2-ynoxyphenyl)methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoate Traditional Name: 3-[[5-(3-bromo-5-methoxy-4-propargyloxy-benzylidene)-3-ethyl-4-keto-thiazolidin-2-ylidene]amino]benzoic acid ethyl ester Formula: C25H23BrN2O5S MolecularWeight: 543.42952

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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=CC(=C3)C(=O)OCC

Isomeric SMILES

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

InChI

InChI=1S/C25H23BrN2O5S/c1-5-11-33-22-19(26)12-16(13-20(22)31-4)14-21-23(29)28(6-2)25(34-21)27-18-10-8-9-17(15-18)24(30)32-7-3/h1,8-10,12-15H,6-7,11H2,2-4H3