ethyl (2R)-2-acetamido-3-[(4-nitrophenyl)methylsulfanyl]propanoate

Systemtic Name: ethyl (2R)-2-acetamido-3-[(4-nitrophenyl)methylsulfanyl]propanoate Openeye Name: ethyl (2R)-2-acetamido-3-[(4-nitrophenyl)methylsulfanyl]propanoate CAS Name: (2R)-2-acetamido-3-[(4-nitrophenyl)methylthio]propanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-acetamido-3-[(4-nitrophenyl)methylsulfanyl]propanoate Traditional Name: (2R)-2-acetamido-3-[(4-nitrobenzyl)thio]propionic acid ethyl ester Formula: C14H18N2O5S MolecularWeight: 326.36812

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CSCC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)C

Isomeric SMILES

CCOC(=O)[C@H](CSCC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)C

InChI

InChI=1S/C14H18N2O5S/c1-3-21-14(18)13(15-10(2)17)9-22-8-11-4-6-12(7-5-11)16(19)20/h4-7,13H,3,8-9H2,1-2H3,(H,15,17)/t13-/m0/s1