ethyl 2-[2-[(2-methylpropan-2-yl)oxycarbonyl]-1-(2-nitrophenyl)-3-oxidanylidene-butyl]-1,3-dithiane-2-carboxylate

Systemtic Name: ethyl 2-[2-[(2-methylpropan-2-yl)oxycarbonyl]-1-(2-nitrophenyl)-3-oxidanylidene-butyl]-1,3-dithiane-2-carboxylate Openeye Name: ethyl 2-[2-tert-butoxycarbonyl-1-(2-nitrophenyl)-3-oxo-butyl]-1,3-dithiane-2-carboxylate CAS Name: 2-[2-[(2-methylpropan-2-yl)oxy-oxomethyl]-1-(2-nitrophenyl)-3-oxobutyl]-1,3-dithiane-2-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-[(2-methylpropan-2-yl)oxycarbonyl]-1-(2-nitrophenyl)-3-oxobutyl]-1,3-dithiane-2-carboxylate Traditional Name: 2-[2-tert-butoxycarbonyl-3-keto-1-(2-nitrophenyl)butyl]-1,3-dithiane-2-carboxylic acid ethyl ester Formula: C22H29NO7S2 MolecularWeight: 483.59816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(SCCCS1)C(C2=CC=CC=C2[N+](=O)[O-])C(C(=O)C)C(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)C1(SCCCS1)C(C2=CC=CC=C2[N+](=O)[O-])C(C(=O)C)C(=O)OC(C)(C)C

InChI

InChI=1S/C22H29NO7S2/c1-6-29-20(26)22(31-12-9-13-32-22)18(15-10-7-8-11-16(15)23(27)28)17(14(2)24)19(25)30-21(3,4)5/h7-8,10-11,17-18H,6,9,12-13H2,1-5H3