methyl (2S)-2-[(3-iodanylphenyl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2S)-2-[(3-iodanylphenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2S)-2-[(3-iodobenzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[(3-iodophenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(3-iodobenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[(3-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=C1)I

Isomeric SMILES

COC(=O)[C@H](CCSC)NC(=O)C1=CC(=CC=C1)I

InChI

InChI=1S/C13H16INO3S/c1-18-13(17)11(6-7-19-2)15-12(16)9-4-3-5-10(14)8-9/h3-5,8,11H,6-7H2,1-2H3,(H,15,16)/t11-/m0/s1