ethyl (2S)-3-[3,5-bis(iodanyl)-4-[4-methoxy-3-[(4-methoxyphenyl)methyl]phenyl]sulfanyl-phenyl]-2-[2,2,2-tris(fluoranyl)ethanoylamino]propanoate

Systemtic Name: ethyl (2S)-3-[3,5-bis(iodanyl)-4-[4-methoxy-3-[(4-methoxyphenyl)methyl]phenyl]sulfanyl-phenyl]-2-[2,2,2-tris(fluoranyl)ethanoylamino]propanoate Openeye Name: ethyl (2S)-3-[3,5-diiodo-4-[4-methoxy-3-[(4-methoxyphenyl)methyl]phenyl]sulfanyl-phenyl]-2-[(2,2,2-trifluoroacetyl)amino]propanoate CAS Name: (2S)-3-[3,5-diiodo-4-[[4-methoxy-3-[(4-methoxyphenyl)methyl]phenyl]thio]phenyl]-2-[(2,2,2-trifluoro-1-oxoethyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl (2S)-3-[3,5-diiodo-4-[4-methoxy-3-[(4-methoxyphenyl)methyl]phenyl]sulfanylphenyl]-2-[(2,2,2-trifluoroacetyl)amino]propanoate Traditional Name: (2S)-3-[3,5-diiodo-4-[(4-methoxy-3-p-anisyl-phenyl)thio]phenyl]-2-[(2,2,2-trifluoroacetyl)amino]propionic acid ethyl ester Formula: C28H26F3I2NO5S MolecularWeight: 799.37889

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC(=C(C(=C1)I)SC2=CC(=C(C=C2)OC)CC3=CC=C(C=C3)OC)I)NC(=O)C(F)(F)F

Isomeric SMILES

CCOC(=O)[C@H](CC1=CC(=C(C(=C1)I)SC2=CC(=C(C=C2)OC)CC3=CC=C(C=C3)OC)I)NC(=O)C(F)(F)F

InChI

InChI=1S/C28H26F3I2NO5S/c1-4-39-26(35)23(34-27(36)28(29,30)31)14-17-12-21(32)25(22(33)13-17)40-20-9-10-24(38-3)18(15-20)11-16-5-7-19(37-2)8-6-16/h5-10,12-13,15,23H,4,11,14H2,1-3H3,(H,34,36)/t23-/m0/s1