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

Systemtic Name: [2-[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-ethyl-amino]-2-oxidanylidene-ethyl] 3-azanylpyrazine-2-carboxylate Openeye Name: [2-[[(3S)-1,1-dioxothiolan-3-yl]-ethyl-amino]-2-oxo-ethyl] 3-aminopyrazine-2-carboxylate CAS Name: 3-amino-2-pyrazinecarboxylic 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-aminopyrazine-2-carboxylate Traditional Name: 3-aminopyrazinic acid [2-[[(3S)-1,1-diketothiolan-3-yl]-ethyl-amino]-2-keto-ethyl] ester Formula: C13H18N4O5S MolecularWeight: 342.37082

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=NC=CN=C2N

Isomeric SMILES

CCN([C@H]1CCS(=O)(=O)C1)C(=O)COC(=O)C2=NC=CN=C2N

InChI

InChI=1S/C13H18N4O5S/c1-2-17(9-3-6-23(20,21)8-9)10(18)7-22-13(19)11-12(14)16-5-4-15-11/h4-5,9H,2-3,6-8H2,1H3,(H2,14,16)/t9-/m0/s1