[2-(4-ethoxyphenyl)-2-oxidanylidene-ethyl] (2S)-2-(4-nitrophenyl)sulfanylpropanoate

Systemtic Name: [2-(4-ethoxyphenyl)-2-oxidanylidene-ethyl] (2S)-2-(4-nitrophenyl)sulfanylpropanoate Openeye Name: [2-(4-ethoxyphenyl)-2-oxo-ethyl] (2S)-2-(4-nitrophenyl)sulfanylpropanoate CAS Name: (2S)-2-[(4-nitrophenyl)thio]propanoic acid [2-(4-ethoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-ethoxyphenyl)-2-oxoethyl] (2S)-2-(4-nitrophenyl)sulfanylpropanoate Traditional Name: (2S)-2-[(4-nitrophenyl)thio]propionic acid (2-keto-2-p-phenetyl-ethyl) ester Formula: C19H19NO6S MolecularWeight: 389.42226

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)COC(=O)C(C)SC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)COC(=O)[C@H](C)SC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H19NO6S/c1-3-25-16-8-4-14(5-9-16)18(21)12-26-19(22)13(2)27-17-10-6-15(7-11-17)20(23)24/h4-11,13H,3,12H2,1-2H3/t13-/m0/s1