methyl 2-benzamido-4-[iodanyl(dimethyl)-$l^{4}-sulfanyl]butanoate

Systemtic Name: methyl 2-benzamido-4-[iodanyl(dimethyl)-$l^{4}-sulfanyl]butanoate Openeye Name: methyl 2-benzamido-4-[iodo(dimethyl)-$l^{4}-sulfanyl]butanoate CAS Name: 2-benzamido-4-[iodo(dimethyl)-$l^{4}-sulfanyl]butanoic acid methyl ester IUPAC Name: methyl 2-benzamido-4-[iodo(dimethyl)-$l^{4}-sulfanyl]butanoate Traditional Name: 2-benzamido-4-[iodo(dimethyl)sulfuranyl]butyric acid methyl ester Formula: C14H20INO3S MolecularWeight: 409.28297

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCS(C)(C)I)NC(=O)C1=CC=CC=C1

Isomeric SMILES

COC(=O)C(CCS(C)(C)I)NC(=O)C1=CC=CC=C1

InChI

InChI=1S/C14H20INO3S/c1-19-14(18)12(9-10-20(2,3)15)16-13(17)11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,16,17)