[2-(4-methylsulfanylphenyl)-2-oxidanylidene-ethyl] 2-(furan-2-ylcarbonylamino)-3-methyl-butanoate

Systemtic Name: [2-(4-methylsulfanylphenyl)-2-oxidanylidene-ethyl] 2-(furan-2-ylcarbonylamino)-3-methyl-butanoate Openeye Name: [2-(4-methylsulfanylphenyl)-2-oxo-ethyl] 2-(furan-2-carbonylamino)-3-methyl-butanoate CAS Name: 2-[[2-furanyl(oxo)methyl]amino]-3-methylbutanoic acid [2-[4-(methylthio)phenyl]-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfanylphenyl)-2-oxoethyl] 2-(furan-2-carbonylamino)-3-methylbutanoate Traditional Name: 2-(2-furoylamino)-3-methyl-butyric acid [2-keto-2-[4-(methylthio)phenyl]ethyl] ester Formula: C19H21NO5S MolecularWeight: 375.43874

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)C1=CC=C(C=C1)SC)NC(=O)C2=CC=CO2

Isomeric SMILES

CC(C)C(C(=O)OCC(=O)C1=CC=C(C=C1)SC)NC(=O)C2=CC=CO2

InChI

InChI=1S/C19H21NO5S/c1-12(2)17(20-18(22)16-5-4-10-24-16)19(23)25-11-15(21)13-6-8-14(26-3)9-7-13/h4-10,12,17H,11H2,1-3H3,(H,20,22)