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

Systemtic Name: [2-[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-ethyl-amino]-2-oxidanylidene-ethyl] 3-bromanylbenzoate Openeye Name: [2-[[(3S)-1,1-dioxothiolan-3-yl]-ethyl-amino]-2-oxo-ethyl] 3-bromobenzoate CAS Name: 3-bromobenzoic acid [2-[[(3S)-1,1-dioxo-3-thiolanyl]-ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[[(3S)-1,1-dioxothiolan-3-yl]-ethylamino]-2-oxoethyl] 3-bromobenzoate Traditional Name: 3-bromobenzoic acid [2-[[(3S)-1,1-diketothiolan-3-yl]-ethyl-amino]-2-keto-ethyl] ester Formula: C15H18BrNO5S MolecularWeight: 404.27612

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18BrNO5S/c1-2-17(13-6-7-23(20,21)10-13)14(18)9-22-15(19)11-4-3-5-12(16)8-11/h3-5,8,13H,2,6-7,9-10H2,1H3/t13-/m0/s1