3-[5-methyl-4-[(Z)-C-methyl-N-(prop-2-enylcarbamothioylamino)carbonimidoyl]furan-2-yl]propanoic acid

Systemtic Name: 3-[5-methyl-4-[(Z)-C-methyl-N-(prop-2-enylcarbamothioylamino)carbonimidoyl]furan-2-yl]propanoic acid Openeye Name: 3-[4-[(Z)-N-(allylcarbamothioylamino)-C-methyl-carbonimidoyl]-5-methyl-2-furyl]propanoic acid CAS Name: 3-[5-methyl-4-[(1Z)-1-[[(prop-2-enylamino)-sulfanylidenemethyl]hydrazinylidene]ethyl]-2-furanyl]propanoic acid IUPAC Name: 3-[5-methyl-4-[(Z)-C-methyl-N-(prop-2-enylcarbamothioylamino)carbonimidoyl]furan-2-yl]propanoic acid Traditional Name: 3-[4-[(Z)-N-(allylthiocarbamoylamino)-C-methyl-carbonimidoyl]-5-methyl-2-furyl]propionic acid Formula: C14H19N3O3S MolecularWeight: 309.38396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)CCC(=O)O)C(=NNC(=S)NCC=C)C

Isomeric SMILES

CC1=C(C=C(O1)CCC(=O)O)/C(=N\NC(=S)NCC=C)/C

InChI

InChI=1S/C14H19N3O3S/c1-4-7-15-14(21)17-16-9(2)12-8-11(20-10(12)3)5-6-13(18)19/h4,8H,1,5-7H2,2-3H3,(H,18,19)(H2,15,17,21)/b16-9-