[2-[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-ethyl-amino]-2-oxidanylidene-ethyl] 5-bromanylpyridine-3-carboxylate

Systemtic Name: [2-[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-ethyl-amino]-2-oxidanylidene-ethyl] 5-bromanylpyridine-3-carboxylate Openeye Name: [2-[[(3S)-1,1-dioxothiolan-3-yl]-ethyl-amino]-2-oxo-ethyl] 5-bromopyridine-3-carboxylate CAS Name: 5-bromo-3-pyridinecarboxylic acid [2-[[(3S)-1,1-dioxo-3-thiolanyl]-ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[[(3S)-1,1-dioxothiolan-3-yl]-ethylamino]-2-oxoethyl] 5-bromopyridine-3-carboxylate Traditional Name: 5-bromonicotinic acid [2-[[(3S)-1,1-diketothiolan-3-yl]-ethyl-amino]-2-keto-ethyl] ester Formula: C14H17BrN2O5S MolecularWeight: 405.26418

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=CC(=CN=C2)Br

Isomeric SMILES

CCN([C@H]1CCS(=O)(=O)C1)C(=O)COC(=O)C2=CC(=CN=C2)Br

InChI

InChI=1S/C14H17BrN2O5S/c1-2-17(12-3-4-23(20,21)9-12)13(18)8-22-14(19)10-5-11(15)7-16-6-10/h5-7,12H,2-4,8-9H2,1H3/t12-/m0/s1