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

Systemtic Name: 2-[2-methoxy-5-[(Z)-C-methyl-N-(prop-2-enylcarbamothioylamino)carbonimidoyl]phenyl]ethanoic acid Openeye Name: 2-[5-[(Z)-N-(allylcarbamothioylamino)-C-methyl-carbonimidoyl]-2-methoxy-phenyl]acetic acid CAS Name: 2-[2-methoxy-5-[(1Z)-1-[[(prop-2-enylamino)-sulfanylidenemethyl]hydrazinylidene]ethyl]phenyl]acetic acid IUPAC Name: 2-[2-methoxy-5-[(Z)-C-methyl-N-(prop-2-enylcarbamothioylamino)carbonimidoyl]phenyl]acetic acid Traditional Name: 2-[5-[(Z)-N-(allylthiocarbamoylamino)-C-methyl-carbonimidoyl]-2-methoxy-phenyl]acetic acid Formula: C15H19N3O3S MolecularWeight: 321.39466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19N3O3S/c1-4-7-16-15(22)18-17-10(2)11-5-6-13(21-3)12(8-11)9-14(19)20/h4-6,8H,1,7,9H2,2-3H3,(H,19,20)(H2,16,18,22)/b17-10-