[2-[[(3R)-1,1-bis(oxidanylidene)thiolan-3-yl]-cyclopropyl-amino]-2-oxidanylidene-ethyl] pyrazine-2-carboxylate

Systemtic Name: [2-[[(3R)-1,1-bis(oxidanylidene)thiolan-3-yl]-cyclopropyl-amino]-2-oxidanylidene-ethyl] pyrazine-2-carboxylate Openeye Name: [2-[cyclopropyl-[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxo-ethyl] pyrazine-2-carboxylate CAS Name: 2-pyrazinecarboxylic acid [2-[cyclopropyl-[(3R)-1,1-dioxo-3-thiolanyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[cyclopropyl-[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] pyrazine-2-carboxylate Traditional Name: pyrazinic acid [2-[cyclopropyl-[(3R)-1,1-diketothiolan-3-yl]amino]-2-keto-ethyl] ester Formula: C14H17N3O5S MolecularWeight: 339.36688

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N(C2CCS(=O)(=O)C2)C(=O)COC(=O)C3=NC=CN=C3

Isomeric SMILES

C1CS(=O)(=O)C[C@@H]1N(C2CC2)C(=O)COC(=O)C3=NC=CN=C3

InChI

InChI=1S/C14H17N3O5S/c18-13(8-22-14(19)12-7-15-4-5-16-12)17(10-1-2-10)11-3-6-23(20,21)9-11/h4-5,7,10-11H,1-3,6,8-9H2/t11-/m1/s1