ethyl (E)-2-(5-iodanyl-2-methylsulfanyl-phenyl)carbonyl-3-oxidanyl-prop-2-enoate

Systemtic Name: ethyl (E)-2-(5-iodanyl-2-methylsulfanyl-phenyl)carbonyl-3-oxidanyl-prop-2-enoate Openeye Name: ethyl (E)-3-hydroxy-2-(5-iodo-2-methylsulfanyl-benzoyl)prop-2-enoate CAS Name: (E)-3-hydroxy-2-[[5-iodo-2-(methylthio)phenyl]-oxomethyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-hydroxy-2-(5-iodo-2-methylsulfanylbenzoyl)prop-2-enoate Traditional Name: (E)-3-hydroxy-2-[5-iodo-2-(methylthio)benzoyl]acrylic acid ethyl ester Formula: C13H13IO4S MolecularWeight: 392.20939

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CO)C(=O)C1=C(C=CC(=C1)I)SC

Isomeric SMILES

CCOC(=O)/C(=C/O)/C(=O)C1=C(C=CC(=C1)I)SC

InChI

InChI=1S/C13H13IO4S/c1-3-18-13(17)10(7-15)12(16)9-6-8(14)4-5-11(9)19-2/h4-7,15H,3H2,1-2H3/b10-7+