3-iodanyl-2-(1-methylsulfanylpropan-2-ylcarbamoyl)benzoic acid

Systemtic Name: 3-iodanyl-2-(1-methylsulfanylpropan-2-ylcarbamoyl)benzoic acid Openeye Name: 3-iodo-2-[(1-methyl-2-methylsulfanyl-ethyl)carbamoyl]benzoic acid CAS Name: 3-iodo-2-[[1-(methylthio)propan-2-ylamino]-oxomethyl]benzoic acid IUPAC Name: 3-iodo-2-(1-methylsulfanylpropan-2-ylcarbamoyl)benzoic acid Traditional Name: 3-iodo-2-[[1-methyl-2-(methylthio)ethyl]carbamoyl]benzoic acid Formula: C12H14INO3S MolecularWeight: 379.21393

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14INO3S/c1-7(6-18-2)14-11(15)10-8(12(16)17)4-3-5-9(10)13/h3-5,7H,6H2,1-2H3,(H,14,15)(H,16,17)