2-[2-methoxy-4-[(E)-C-methyl-N-(methylcarbamothioylamino)carbonimidoyl]phenoxy]ethanoic acid

Systemtic Name: 2-[2-methoxy-4-[(E)-C-methyl-N-(methylcarbamothioylamino)carbonimidoyl]phenoxy]ethanoic acid Openeye Name: 2-[2-methoxy-4-[(E)-C-methyl-N-(methylcarbamothioylamino)carbonimidoyl]phenoxy]acetic acid CAS Name: 2-[2-methoxy-4-[(1E)-1-[[methylamino(sulfanylidene)methyl]hydrazinylidene]ethyl]phenoxy]acetic acid IUPAC Name: 2-[2-methoxy-4-[(E)-C-methyl-N-(methylcarbamothioylamino)carbonimidoyl]phenoxy]acetic acid Traditional Name: 2-[2-methoxy-4-[(E)-C-methyl-N-(methylthiocarbamoylamino)carbonimidoyl]phenoxy]acetic acid Formula: C13H17N3O4S MolecularWeight: 311.35678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=S)NC)C1=CC(=C(C=C1)OCC(=O)O)OC

Isomeric SMILES

C/C(=N\NC(=S)NC)/C1=CC(=C(C=C1)OCC(=O)O)OC

InChI

InChI=1S/C13H17N3O4S/c1-8(15-16-13(21)14-2)9-4-5-10(11(6-9)19-3)20-7-12(17)18/h4-6H,7H2,1-3H3,(H,17,18)(H2,14,16,21)/b15-8+