2-[2-methoxy-5-[(Z)-C-methyl-N-(methylcarbamothioylamino)carbonimidoyl]phenyl]ethanoic acid

Systemtic Name: 2-[2-methoxy-5-[(Z)-C-methyl-N-(methylcarbamothioylamino)carbonimidoyl]phenyl]ethanoic acid Openeye Name: 2-[2-methoxy-5-[(Z)-C-methyl-N-(methylcarbamothioylamino)carbonimidoyl]phenyl]acetic acid CAS Name: 2-[2-methoxy-5-[(1Z)-1-[[methylamino(sulfanylidene)methyl]hydrazinylidene]ethyl]phenyl]acetic acid IUPAC Name: 2-[2-methoxy-5-[(Z)-C-methyl-N-(methylcarbamothioylamino)carbonimidoyl]phenyl]acetic acid Traditional Name: 2-[2-methoxy-5-[(Z)-C-methyl-N-(methylthiocarbamoylamino)carbonimidoyl]phenyl]acetic acid Formula: C13H17N3O3S MolecularWeight: 295.35738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3O3S/c1-8(15-16-13(20)14-2)9-4-5-11(19-3)10(6-9)7-12(17)18/h4-6H,7H2,1-3H3,(H,17,18)(H2,14,16,20)/b15-8-