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

Systemtic Name: [2-[[(3S)-3-methyl-1,1-bis(oxidanylidene)thiolan-3-yl]amino]-2-oxidanylidene-ethyl] 5-methylpyrazine-2-carboxylate Openeye Name: [2-[[(3S)-3-methyl-1,1-dioxo-thiolan-3-yl]amino]-2-oxo-ethyl] 5-methylpyrazine-2-carboxylate CAS Name: 5-methyl-2-pyrazinecarboxylic acid [2-[[(3S)-3-methyl-1,1-dioxo-3-thiolanyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(3S)-3-methyl-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate Traditional Name: 5-methylpyrazinic acid [2-[[(3S)-1,1-diketo-3-methyl-thiolan-3-yl]amino]-2-keto-ethyl] ester Formula: C13H17N3O5S MolecularWeight: 327.35618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N=C1)C(=O)OCC(=O)NC2(CCS(=O)(=O)C2)C

Isomeric SMILES

CC1=NC=C(N=C1)C(=O)OCC(=O)N[C@]2(CCS(=O)(=O)C2)C

InChI

InChI=1S/C13H17N3O5S/c1-9-5-15-10(6-14-9)12(18)21-7-11(17)16-13(2)3-4-22(19,20)8-13/h5-6H,3-4,7-8H2,1-2H3,(H,16,17)/t13-/m0/s1