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

Systemtic Name: 3-[4-[(Z)-N-(furan-2-ylmethylcarbamothioylamino)-C-methyl-carbonimidoyl]-5-methyl-furan-2-yl]propanoic acid Openeye Name: 3-[4-[(Z)-N-(2-furylmethylcarbamothioylamino)-C-methyl-carbonimidoyl]-5-methyl-2-furyl]propanoic acid CAS Name: 3-[4-[(1Z)-1-[[(2-furanylmethylamino)-sulfanylidenemethyl]hydrazinylidene]ethyl]-5-methyl-2-furanyl]propanoic acid IUPAC Name: 3-[4-[(Z)-N-(furan-2-ylmethylcarbamothioylamino)-C-methylcarbonimidoyl]-5-methylfuran-2-yl]propanoic acid Traditional Name: 3-[4-[(Z)-N-(2-furfurylthiocarbamoylamino)-C-methyl-carbonimidoyl]-5-methyl-2-furyl]propionic acid Formula: C16H19N3O4S MolecularWeight: 349.40476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)CCC(=O)O)C(=NNC(=S)NCC2=CC=CO2)C

Isomeric SMILES

CC1=C(C=C(O1)CCC(=O)O)/C(=N\NC(=S)NCC2=CC=CO2)/C

InChI

InChI=1S/C16H19N3O4S/c1-10(14-8-12(23-11(14)2)5-6-15(20)21)18-19-16(24)17-9-13-4-3-7-22-13/h3-4,7-8H,5-6,9H2,1-2H3,(H,20,21)(H2,17,19,24)/b18-10-