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

Systemtic Name: (4-methylsulfanylphenyl)methyl (2S)-2-[(4-methylphenyl)sulfonylamino]propanoate Openeye Name: (4-methylsulfanylphenyl)methyl (2S)-2-(p-tolylsulfonylamino)propanoate CAS Name: (2S)-2-[(4-methylphenyl)sulfonylamino]propanoic acid [4-(methylthio)phenyl]methyl ester IUPAC Name: (4-methylsulfanylphenyl)methyl (2S)-2-[(4-methylphenyl)sulfonylamino]propanoate Traditional Name: (2S)-2-(tosylamino)propionic acid [4-(methylthio)benzyl] ester Formula: C18H21NO4S2 MolecularWeight: 379.49364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(C)C(=O)OCC2=CC=C(C=C2)SC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](C)C(=O)OCC2=CC=C(C=C2)SC

InChI

InChI=1S/C18H21NO4S2/c1-13-4-10-17(11-5-13)25(21,22)19-14(2)18(20)23-12-15-6-8-16(24-3)9-7-15/h4-11,14,19H,12H2,1-3H3/t14-/m0/s1