methyl 2-[ethanethioyl(iodanyl)amino]-3-(2-iodanyl-4-oxidanyl-phenyl)propanoate

Systemtic Name: methyl 2-[ethanethioyl(iodanyl)amino]-3-(2-iodanyl-4-oxidanyl-phenyl)propanoate Openeye Name: methyl 2-[ethanethioyl(iodo)amino]-3-(4-hydroxy-2-iodo-phenyl)propanoate CAS Name: 3-(4-hydroxy-2-iodophenyl)-2-[iodo(1-sulfanylideneethyl)amino]propanoic acid methyl ester IUPAC Name: methyl 2-[ethanethioyl(iodo)amino]-3-(4-hydroxy-2-iodophenyl)propanoate Traditional Name: 3-(4-hydroxy-2-iodo-phenyl)-2-[iodo(thioacetyl)amino]propionic acid methyl ester Formula: C12H13I2NO3S MolecularWeight: 505.11046

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Descriptors Computed from Structure

Canonical SMILES:

CC(=S)N(C(CC1=C(C=C(C=C1)O)I)C(=O)OC)I

Isomeric SMILES

CC(=S)N(C(CC1=C(C=C(C=C1)O)I)C(=O)OC)I

InChI

InChI=1S/C12H13I2NO3S/c1-7(19)15(14)11(12(17)18-2)5-8-3-4-9(16)6-10(8)13/h3-4,6,11,16H,5H2,1-2H3