4-[(3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)methylidene]-2-prop-2-enylsulfanyl-1,3-thiazol-5-one

Systemtic Name: 4-[(3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)methylidene]-2-prop-2-enylsulfanyl-1,3-thiazol-5-one Openeye Name: 2-allylsulfanyl-4-[(4-benzyloxy-3-bromo-5-methoxy-phenyl)methylene]thiazol-5-one CAS Name: 4-[(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methylidene]-2-(prop-2-enylthio)-5-thiazolone IUPAC Name: 4-[(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methylidene]-2-prop-2-enylsulfanyl-1,3-thiazol-5-one Traditional Name: 2-(allylthio)-4-(4-benzoxy-3-bromo-5-methoxy-benzylidene)-2-thiazolin-5-one Formula: C21H18BrNO3S2 MolecularWeight: 476.40652

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=C2C(=O)SC(=N2)SCC=C)Br)OCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C(=CC(=C1)C=C2C(=O)SC(=N2)SCC=C)Br)OCC3=CC=CC=C3

InChI

InChI=1S/C21H18BrNO3S2/c1-3-9-27-21-23-17(20(24)28-21)11-15-10-16(22)19(18(12-15)25-2)26-13-14-7-5-4-6-8-14/h3-8,10-12H,1,9,13H2,2H3