methyl 2-[(2-iodanylphenyl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl 2-[(2-iodanylphenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl 2-[(2-iodobenzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[(2-iodophenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[(2-iodobenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: 2-[(2-iodobenzoyl)amino]-4-(methylthio)butyric acid methyl ester Formula: C13H16INO3S MolecularWeight: 393.24051

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)C1=CC=CC=C1I

Isomeric SMILES

COC(=O)C(CCSC)NC(=O)C1=CC=CC=C1I

InChI

InChI=1S/C13H16INO3S/c1-18-13(17)11(7-8-19-2)15-12(16)9-5-3-4-6-10(9)14/h3-6,11H,7-8H2,1-2H3,(H,15,16)