methyl 2-[[4-iodanyl-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl 2-[[4-iodanyl-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl 2-[[4-iodo-2-(o-tolyl)benzoyl]amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[[4-iodo-2-(2-methylphenyl)phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[[4-iodo-2-(2-methylphenyl)benzoyl]amino]-4-methylsulfanylbutanoate Traditional Name: 2-[[4-iodo-2-(o-tolyl)benzoyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C20H22INO3S MolecularWeight: 483.36305

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(C=CC(=C2)I)C(=O)NC(CCSC)C(=O)OC

Isomeric SMILES

CC1=CC=CC=C1C2=C(C=CC(=C2)I)C(=O)NC(CCSC)C(=O)OC

InChI

InChI=1S/C20H22INO3S/c1-13-6-4-5-7-15(13)17-12-14(21)8-9-16(17)19(23)22-18(10-11-26-3)20(24)25-2/h4-9,12,18H,10-11H2,1-3H3,(H,22,23)