propan-2-yl 3-[[(5E)-5-[(3-bromanyl-5-methoxy-4-prop-2-ynoxy-phenyl)methylidene]-4-oxidanylidene-1,3-thiazol-2-yl]amino]benzoate

Systemtic Name: propan-2-yl 3-[[(5E)-5-[(3-bromanyl-5-methoxy-4-prop-2-ynoxy-phenyl)methylidene]-4-oxidanylidene-1,3-thiazol-2-yl]amino]benzoate Openeye Name: isopropyl 3-[[(5E)-5-[(3-bromo-5-methoxy-4-prop-2-ynoxy-phenyl)methylene]-4-oxo-thiazol-2-yl]amino]benzoate CAS Name: 3-[[(5E)-5-[(3-bromo-5-methoxy-4-prop-2-ynoxyphenyl)methylidene]-4-oxo-2-thiazolyl]amino]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-[[(5E)-5-[(3-bromo-5-methoxy-4-prop-2-ynoxyphenyl)methylidene]-4-oxo-1,3-thiazol-2-yl]amino]benzoate Traditional Name: 3-[[(5E)-5-(3-bromo-5-methoxy-4-propargyloxy-benzylidene)-4-keto-2-thiazolin-2-yl]amino]benzoic acid isopropyl ester Formula: C24H21BrN2O5S MolecularWeight: 529.40294

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CC(=CC=C1)NC2=NC(=O)C(=CC3=CC(=C(C(=C3)Br)OCC#C)OC)S2

Isomeric SMILES

CC(C)OC(=O)C1=CC(=CC=C1)NC2=NC(=O)/C(=C\C3=CC(=C(C(=C3)Br)OCC#C)OC)/S2

InChI

InChI=1S/C24H21BrN2O5S/c1-5-9-31-21-18(25)10-15(11-19(21)30-4)12-20-22(28)27-24(33-20)26-17-8-6-7-16(13-17)23(29)32-14(2)3/h1,6-8,10-14H,9H2,2-4H3,(H,26,27,28)/b20-12+