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

Systemtic Name: 3-[4-[(Z)-N-(2-methoxyethylcarbamothioylamino)-C-methyl-carbonimidoyl]-5-methyl-furan-2-yl]propanoic acid Openeye Name: 3-[4-[(Z)-N-(2-methoxyethylcarbamothioylamino)-C-methyl-carbonimidoyl]-5-methyl-2-furyl]propanoic acid CAS Name: 3-[4-[(1Z)-1-[[(2-methoxyethylamino)-sulfanylidenemethyl]hydrazinylidene]ethyl]-5-methyl-2-furanyl]propanoic acid IUPAC Name: 3-[4-[(Z)-N-(2-methoxyethylcarbamothioylamino)-C-methylcarbonimidoyl]-5-methylfuran-2-yl]propanoic acid Traditional Name: 3-[4-[(Z)-N-(2-methoxyethylthiocarbamoylamino)-C-methyl-carbonimidoyl]-5-methyl-2-furyl]propionic acid Formula: C14H21N3O4S MolecularWeight: 327.39924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21N3O4S/c1-9(16-17-14(22)15-6-7-20-3)12-8-11(21-10(12)2)4-5-13(18)19/h8H,4-7H2,1-3H3,(H,18,19)(H2,15,17,22)/b16-9-