3-iodanyl-2-(4-methylsulfanylbutan-2-ylcarbamoyl)benzoic acid

Systemtic Name: 3-iodanyl-2-(4-methylsulfanylbutan-2-ylcarbamoyl)benzoic acid Openeye Name: 3-iodo-2-[(1-methyl-3-methylsulfanyl-propyl)carbamoyl]benzoic acid CAS Name: 3-iodo-2-[[4-(methylthio)butan-2-ylamino]-oxomethyl]benzoic acid IUPAC Name: 3-iodo-2-(4-methylsulfanylbutan-2-ylcarbamoyl)benzoic acid Traditional Name: 3-iodo-2-[[1-methyl-3-(methylthio)propyl]carbamoyl]benzoic acid Formula: C13H16INO3S MolecularWeight: 393.24051

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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