(4-methylsulfanylphenyl)methyl (2S)-2-[(3-nitrophenyl)carbonylamino]propanoate

Systemtic Name: (4-methylsulfanylphenyl)methyl (2S)-2-[(3-nitrophenyl)carbonylamino]propanoate Openeye Name: (4-methylsulfanylphenyl)methyl (2S)-2-[(3-nitrobenzoyl)amino]propanoate CAS Name: (2S)-2-[[(3-nitrophenyl)-oxomethyl]amino]propanoic acid [4-(methylthio)phenyl]methyl ester IUPAC Name: (4-methylsulfanylphenyl)methyl (2S)-2-[(3-nitrobenzoyl)amino]propanoate Traditional Name: (2S)-2-[(3-nitrobenzoyl)amino]propionic acid [4-(methylthio)benzyl] ester Formula: C18H18N2O5S MolecularWeight: 374.41092

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC1=CC=C(C=C1)SC)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)OCC1=CC=C(C=C1)SC)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H18N2O5S/c1-12(18(22)25-11-13-6-8-16(26-2)9-7-13)19-17(21)14-4-3-5-15(10-14)20(23)24/h3-10,12H,11H2,1-2H3,(H,19,21)/t12-/m0/s1