ethyl 2-[2-methoxycarbonyl-1-(2-nitrophenyl)-3-oxidanylidene-butyl]-1,3-dithiolane-2-carboxylate

Systemtic Name: ethyl 2-[2-methoxycarbonyl-1-(2-nitrophenyl)-3-oxidanylidene-butyl]-1,3-dithiolane-2-carboxylate Openeye Name: ethyl 2-[2-methoxycarbonyl-1-(2-nitrophenyl)-3-oxo-butyl]-1,3-dithiolane-2-carboxylate CAS Name: 2-[2-methoxycarbonyl-1-(2-nitrophenyl)-3-oxobutyl]-1,3-dithiolane-2-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-methoxycarbonyl-1-(2-nitrophenyl)-3-oxobutyl]-1,3-dithiolane-2-carboxylate Traditional Name: 2-[2-carbomethoxy-3-keto-1-(2-nitrophenyl)butyl]-1,3-dithiolane-2-carboxylic acid ethyl ester Formula: C18H21NO7S2 MolecularWeight: 427.49184

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(SCCS1)C(C2=CC=CC=C2[N+](=O)[O-])C(C(=O)C)C(=O)OC

Isomeric SMILES

CCOC(=O)C1(SCCS1)C(C2=CC=CC=C2[N+](=O)[O-])C(C(=O)C)C(=O)OC

InChI

InChI=1S/C18H21NO7S2/c1-4-26-17(22)18(27-9-10-28-18)15(14(11(2)20)16(21)25-3)12-7-5-6-8-13(12)19(23)24/h5-8,14-15H,4,9-10H2,1-3H3