[(1R)-1-(3-nitrophenyl)ethyl] 2-[2-(dimethylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: [(1R)-1-(3-nitrophenyl)ethyl] 2-[2-(dimethylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: [(1R)-1-(3-nitrophenyl)ethyl] 2-[2-(dimethylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(dimethylamino)-2-oxoethyl]thio]benzoic acid [(1R)-1-(3-nitrophenyl)ethyl] ester IUPAC Name: [(1R)-1-(3-nitrophenyl)ethyl] 2-[2-(dimethylamino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-(dimethylamino)-2-keto-ethyl]thio]benzoic acid [(1R)-1-(3-nitrophenyl)ethyl] ester Formula: C19H20N2O5S MolecularWeight: 388.4375

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)[N+](=O)[O-])OC(=O)C2=CC=CC=C2SCC(=O)N(C)C

Isomeric SMILES

C[C@H](C1=CC(=CC=C1)[N+](=O)[O-])OC(=O)C2=CC=CC=C2SCC(=O)N(C)C

InChI

InChI=1S/C19H20N2O5S/c1-13(14-7-6-8-15(11-14)21(24)25)26-19(23)16-9-4-5-10-17(16)27-12-18(22)20(2)3/h4-11,13H,12H2,1-3H3/t13-/m1/s1