(4-methylsulfanylphenyl)methyl 2-(furan-2-ylcarbonylamino)-3-methyl-butanoate

Systemtic Name: (4-methylsulfanylphenyl)methyl 2-(furan-2-ylcarbonylamino)-3-methyl-butanoate Openeye Name: (4-methylsulfanylphenyl)methyl 2-(furan-2-carbonylamino)-3-methyl-butanoate CAS Name: 2-[[2-furanyl(oxo)methyl]amino]-3-methylbutanoic acid [4-(methylthio)phenyl]methyl ester IUPAC Name: (4-methylsulfanylphenyl)methyl 2-(furan-2-carbonylamino)-3-methylbutanoate Traditional Name: 2-(2-furoylamino)-3-methyl-butyric acid [4-(methylthio)benzyl] ester Formula: C18H21NO4S MolecularWeight: 347.42864

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=CC=C(C=C1)SC)NC(=O)C2=CC=CO2

Isomeric SMILES

CC(C)C(C(=O)OCC1=CC=C(C=C1)SC)NC(=O)C2=CC=CO2

InChI

InChI=1S/C18H21NO4S/c1-12(2)16(19-17(20)15-5-4-10-22-15)18(21)23-11-13-6-8-14(24-3)9-7-13/h4-10,12,16H,11H2,1-3H3,(H,19,20)