pentyl 4-(furan-2-ylcarbonylcarbamothioylamino)-2-oxidanyl-benzoate

Systemtic Name: pentyl 4-(furan-2-ylcarbonylcarbamothioylamino)-2-oxidanyl-benzoate Openeye Name: pentyl 4-(furan-2-carbonylcarbamothioylamino)-2-hydroxy-benzoate CAS Name: 4-[[[[2-furanyl(oxo)methyl]amino]-sulfanylidenemethyl]amino]-2-hydroxybenzoic acid pentyl ester IUPAC Name: pentyl 4-(furan-2-carbonylcarbamothioylamino)-2-hydroxybenzoate Traditional Name: 4-(2-furoylthiocarbamoylamino)-2-hydroxy-benzoic acid amyl ester Formula: C18H20N2O5S MolecularWeight: 376.4268

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1=C(C=C(C=C1)NC(=S)NC(=O)C2=CC=CO2)O

Isomeric SMILES

CCCCCOC(=O)C1=C(C=C(C=C1)NC(=S)NC(=O)C2=CC=CO2)O

InChI

InChI=1S/C18H20N2O5S/c1-2-3-4-9-25-17(23)13-8-7-12(11-14(13)21)19-18(26)20-16(22)15-6-5-10-24-15/h5-8,10-11,21H,2-4,9H2,1H3,(H2,19,20,22,26)