(2-nitrophenyl)methyl 2-[2-(dimethylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: (2-nitrophenyl)methyl 2-[2-(dimethylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: (2-nitrophenyl)methyl 2-[2-(dimethylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(dimethylamino)-2-oxoethyl]thio]benzoic acid (2-nitrophenyl)methyl ester IUPAC Name: (2-nitrophenyl)methyl 2-[2-(dimethylamino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-(dimethylamino)-2-keto-ethyl]thio]benzoic acid (2-nitrobenzyl) ester Formula: C18H18N2O5S MolecularWeight: 374.41092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)CSC1=CC=CC=C1C(=O)OCC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CN(C)C(=O)CSC1=CC=CC=C1C(=O)OCC2=CC=CC=C2[N+](=O)[O-]

InChI

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