(4-methylsulfanylphenyl)methyl (2S)-2-[(4-fluorophenyl)sulfonylamino]propanoate

Systemtic Name: (4-methylsulfanylphenyl)methyl (2S)-2-[(4-fluorophenyl)sulfonylamino]propanoate Openeye Name: (4-methylsulfanylphenyl)methyl (2S)-2-[(4-fluorophenyl)sulfonylamino]propanoate CAS Name: (2S)-2-[(4-fluorophenyl)sulfonylamino]propanoic acid [4-(methylthio)phenyl]methyl ester IUPAC Name: (4-methylsulfanylphenyl)methyl (2S)-2-[(4-fluorophenyl)sulfonylamino]propanoate Traditional Name: (2S)-2-[(4-fluorophenyl)sulfonylamino]propionic acid [4-(methylthio)benzyl] ester Formula: C17H18FNO4S2 MolecularWeight: 383.457523

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC1=CC=C(C=C1)SC)NS(=O)(=O)C2=CC=C(C=C2)F

Isomeric SMILES

C[C@@H](C(=O)OCC1=CC=C(C=C1)SC)NS(=O)(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C17H18FNO4S2/c1-12(19-25(21,22)16-9-5-14(18)6-10-16)17(20)23-11-13-3-7-15(24-2)8-4-13/h3-10,12,19H,11H2,1-2H3/t12-/m0/s1