5-(dimethylcarbamoylamino)-3-[(3-iodanylphenyl)methoxy]-1,2-thiazole-4-carboxylic acid

Systemtic Name: 5-(dimethylcarbamoylamino)-3-[(3-iodanylphenyl)methoxy]-1,2-thiazole-4-carboxylic acid Openeye Name: 5-(dimethylcarbamoylamino)-3-[(3-iodophenyl)methoxy]isothiazole-4-carboxylic acid CAS Name: 5-[[dimethylamino(oxo)methyl]amino]-3-[(3-iodophenyl)methoxy]-4-isothiazolecarboxylic acid IUPAC Name: 5-(dimethylcarbamoylamino)-3-[(3-iodophenyl)methoxy]-1,2-thiazole-4-carboxylic acid Traditional Name: 5-(dimethylcarbamoylamino)-3-(3-iodobenzyl)oxy-isothiazole-4-carboxylic acid Formula: C14H14IN3O4S MolecularWeight: 447.24813

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)NC1=C(C(=NS1)OCC2=CC(=CC=C2)I)C(=O)O

Isomeric SMILES

CN(C)C(=O)NC1=C(C(=NS1)OCC2=CC(=CC=C2)I)C(=O)O

InChI

InChI=1S/C14H14IN3O4S/c1-18(2)14(21)16-12-10(13(19)20)11(17-23-12)22-7-8-4-3-5-9(15)6-8/h3-6H,7H2,1-2H3,(H,16,21)(H,19,20)