5-(dimethylcarbamoylamino)-3-[(4-fluorophenyl)methylsulfanyl]-1,2-thiazole-4-carboxylic acid

Systemtic Name: 5-(dimethylcarbamoylamino)-3-[(4-fluorophenyl)methylsulfanyl]-1,2-thiazole-4-carboxylic acid Openeye Name: 5-(dimethylcarbamoylamino)-3-[(4-fluorophenyl)methylsulfanyl]isothiazole-4-carboxylic acid CAS Name: 5-[[dimethylamino(oxo)methyl]amino]-3-[(4-fluorophenyl)methylthio]-4-isothiazolecarboxylic acid IUPAC Name: 5-(dimethylcarbamoylamino)-3-[(4-fluorophenyl)methylsulfanyl]-1,2-thiazole-4-carboxylic acid Traditional Name: 5-(dimethylcarbamoylamino)-3-[(4-fluorobenzyl)thio]isothiazole-4-carboxylic acid Formula: C14H14FN3O3S2 MolecularWeight: 355.407663

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)NC1=C(C(=NS1)SCC2=CC=C(C=C2)F)C(=O)O

Isomeric SMILES

CN(C)C(=O)NC1=C(C(=NS1)SCC2=CC=C(C=C2)F)C(=O)O

InChI

InChI=1S/C14H14FN3O3S2/c1-18(2)14(21)16-11-10(13(19)20)12(17-23-11)22-7-8-3-5-9(15)6-4-8/h3-6H,7H2,1-2H3,(H,16,21)(H,19,20)