[2-(dimethylamino)-2-oxidanylidene-ethyl] (2R)-2-(4-nitrophenyl)sulfanylpropanoate

Systemtic Name: [2-(dimethylamino)-2-oxidanylidene-ethyl] (2R)-2-(4-nitrophenyl)sulfanylpropanoate Openeye Name: [2-(dimethylamino)-2-oxo-ethyl] (2R)-2-(4-nitrophenyl)sulfanylpropanoate CAS Name: (2R)-2-[(4-nitrophenyl)thio]propanoic acid [2-(dimethylamino)-2-oxoethyl] ester IUPAC Name: [2-(dimethylamino)-2-oxoethyl] (2R)-2-(4-nitrophenyl)sulfanylpropanoate Traditional Name: (2R)-2-[(4-nitrophenyl)thio]propionic acid [2-(dimethylamino)-2-keto-ethyl] ester Formula: C13H16N2O5S MolecularWeight: 312.34154

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)N(C)C)SC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C(=O)OCC(=O)N(C)C)SC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C13H16N2O5S/c1-9(13(17)20-8-12(16)14(2)3)21-11-6-4-10(5-7-11)15(18)19/h4-7,9H,8H2,1-3H3/t9-/m1/s1