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

Systemtic Name: 3-[4-[(Z)-N-(ethylcarbamothioylamino)-C-methyl-carbonimidoyl]-5-methyl-furan-2-yl]propanoic acid Openeye Name: 3-[4-[(Z)-N-(ethylcarbamothioylamino)-C-methyl-carbonimidoyl]-5-methyl-2-furyl]propanoic acid CAS Name: 3-[4-[(1Z)-1-[[ethylamino(sulfanylidene)methyl]hydrazinylidene]ethyl]-5-methyl-2-furanyl]propanoic acid IUPAC Name: 3-[4-[(Z)-N-(ethylcarbamothioylamino)-C-methylcarbonimidoyl]-5-methylfuran-2-yl]propanoic acid Traditional Name: 3-[4-[(Z)-N-(ethylthiocarbamoylamino)-C-methyl-carbonimidoyl]-5-methyl-2-furyl]propionic acid Formula: C13H19N3O3S MolecularWeight: 297.37326

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)NN=C(C)C1=C(OC(=C1)CCC(=O)O)C

Isomeric SMILES

CCNC(=S)N/N=C(/C)\C1=C(OC(=C1)CCC(=O)O)C

InChI

InChI=1S/C13H19N3O3S/c1-4-14-13(20)16-15-8(2)11-7-10(19-9(11)3)5-6-12(17)18/h7H,4-6H2,1-3H3,(H,17,18)(H2,14,16,20)/b15-8-