(4-methylphenyl)methyl (2S)-2-(4-nitrophenyl)sulfanylpropanoate

Systemtic Name: (4-methylphenyl)methyl (2S)-2-(4-nitrophenyl)sulfanylpropanoate Openeye Name: p-tolylmethyl (2S)-2-(4-nitrophenyl)sulfanylpropanoate CAS Name: (2S)-2-[(4-nitrophenyl)thio]propanoic acid (4-methylphenyl)methyl ester IUPAC Name: (4-methylphenyl)methyl (2S)-2-(4-nitrophenyl)sulfanylpropanoate Traditional Name: (2S)-2-[(4-nitrophenyl)thio]propionic acid (4-methylbenzyl) ester Formula: C17H17NO4S MolecularWeight: 331.38618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)COC(=O)C(C)SC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)COC(=O)[C@H](C)SC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H17NO4S/c1-12-3-5-14(6-4-12)11-22-17(19)13(2)23-16-9-7-15(8-10-16)18(20)21/h3-10,13H,11H2,1-2H3/t13-/m0/s1