methyl 1-[2-[2-(4-aminocarbonyl-2-nitro-phenyl)sulfanylethanoyloxy]ethanoyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-[2-(4-aminocarbonyl-2-nitro-phenyl)sulfanylethanoyloxy]ethanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-[2-(4-carbamoyl-2-nitro-phenyl)sulfanylacetyl]oxyacetyl]piperidine-4-carboxylate CAS Name: 1-[2-[2-[(4-carbamoyl-2-nitrophenyl)thio]-1-oxoethoxy]-1-oxoethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[2-(4-carbamoyl-2-nitrophenyl)sulfanylacetyl]oxyacetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[2-[(4-carbamoyl-2-nitro-phenyl)thio]acetyl]oxyacetyl]isonipecotic acid methyl ester Formula: C18H21N3O8S MolecularWeight: 439.43964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C(=O)COC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1CCN(CC1)C(=O)COC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C18H21N3O8S/c1-28-18(25)11-4-6-20(7-5-11)15(22)9-29-16(23)10-30-14-3-2-12(17(19)24)8-13(14)21(26)27/h2-3,8,11H,4-7,9-10H2,1H3,(H2,19,24)