3-[(4-chlorophenyl)methylsulfanyl]-5-(methylcarbamoylamino)-1,2-thiazole-4-carboxylic acid

Systemtic Name: 3-[(4-chlorophenyl)methylsulfanyl]-5-(methylcarbamoylamino)-1,2-thiazole-4-carboxylic acid Openeye Name: 3-[(4-chlorophenyl)methylsulfanyl]-5-(methylcarbamoylamino)isothiazole-4-carboxylic acid CAS Name: 3-[(4-chlorophenyl)methylthio]-5-(methylcarbamoylamino)-4-isothiazolecarboxylic acid IUPAC Name: 3-[(4-chlorophenyl)methylsulfanyl]-5-(methylcarbamoylamino)-1,2-thiazole-4-carboxylic acid Traditional Name: 3-[(4-chlorobenzyl)thio]-5-(methylcarbamoylamino)isothiazole-4-carboxylic acid Formula: C13H12ClN3O3S2 MolecularWeight: 357.83568

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)NC1=C(C(=NS1)SCC2=CC=C(C=C2)Cl)C(=O)O

Isomeric SMILES

CNC(=O)NC1=C(C(=NS1)SCC2=CC=C(C=C2)Cl)C(=O)O

InChI

InChI=1S/C13H12ClN3O3S2/c1-15-13(20)16-10-9(12(18)19)11(17-22-10)21-6-7-2-4-8(14)5-3-7/h2-5H,6H2,1H3,(H,18,19)(H2,15,16,20)