methyl 4-[[2-(furan-2-ylcarbonylamino)-4-methylsulfanyl-butanoyl]amino]benzoate

Systemtic Name: methyl 4-[[2-(furan-2-ylcarbonylamino)-4-methylsulfanyl-butanoyl]amino]benzoate Openeye Name: methyl 4-[[2-(furan-2-carbonylamino)-4-methylsulfanyl-butanoyl]amino]benzoate CAS Name: 4-[[2-[[2-furanyl(oxo)methyl]amino]-4-(methylthio)-1-oxobutyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(furan-2-carbonylamino)-4-methylsulfanylbutanoyl]amino]benzoate Traditional Name: 4-[[2-(2-furoylamino)-4-(methylthio)butanoyl]amino]benzoic acid methyl ester Formula: C18H20N2O5S MolecularWeight: 376.4268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O5S/c1-24-18(23)12-5-7-13(8-6-12)19-16(21)14(9-11-26-2)20-17(22)15-4-3-10-25-15/h3-8,10,14H,9,11H2,1-2H3,(H,19,21)(H,20,22)