(5E)-5-[(3-bromanyl-5-methoxy-4-prop-2-ynoxy-phenyl)methylidene]-2-[(2,3-dimethylphenyl)amino]-1,3-thiazol-4-one

Systemtic Name: (5E)-5-[(3-bromanyl-5-methoxy-4-prop-2-ynoxy-phenyl)methylidene]-2-[(2,3-dimethylphenyl)amino]-1,3-thiazol-4-one Openeye Name: (5E)-5-[(3-bromo-5-methoxy-4-prop-2-ynoxy-phenyl)methylene]-2-(2,3-dimethylanilino)thiazol-4-one CAS Name: (5E)-5-[(3-bromo-5-methoxy-4-prop-2-ynoxyphenyl)methylidene]-2-(2,3-dimethylanilino)-4-thiazolone IUPAC Name: (5E)-5-[(3-bromo-5-methoxy-4-prop-2-ynoxyphenyl)methylidene]-2-(2,3-dimethylanilino)-1,3-thiazol-4-one Traditional Name: (5E)-5-(3-bromo-5-methoxy-4-propargyloxy-benzylidene)-2-(2,3-dimethylanilino)-2-thiazolin-4-one Formula: C22H19BrN2O3S MolecularWeight: 471.36686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC2=NC(=O)C(=CC3=CC(=C(C(=C3)Br)OCC#C)OC)S2)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC2=NC(=O)/C(=C\C3=CC(=C(C(=C3)Br)OCC#C)OC)/S2)C

InChI

InChI=1S/C22H19BrN2O3S/c1-5-9-28-20-16(23)10-15(11-18(20)27-4)12-19-21(26)25-22(29-19)24-17-8-6-7-13(2)14(17)3/h1,6-8,10-12H,9H2,2-4H3,(H,24,25,26)/b19-12+