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

Systemtic Name: methyl 4-(furan-2-ylcarbonylcarbamothioylamino)-2-oxidanyl-benzoate Openeye Name: methyl 4-(furan-2-carbonylcarbamothioylamino)-2-hydroxy-benzoate CAS Name: 4-[[[[2-furanyl(oxo)methyl]amino]-sulfanylidenemethyl]amino]-2-hydroxybenzoic acid methyl ester IUPAC Name: methyl 4-(furan-2-carbonylcarbamothioylamino)-2-hydroxybenzoate Traditional Name: 4-(2-furoylthiocarbamoylamino)-2-hydroxy-benzoic acid methyl ester Formula: C14H12N2O5S MolecularWeight: 320.32048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12N2O5S/c1-20-13(19)9-5-4-8(7-10(9)17)15-14(22)16-12(18)11-3-2-6-21-11/h2-7,17H,1H3,(H2,15,16,18,22)