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

Systemtic Name: [2-[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-cyclopropyl-amino]-2-oxidanylidene-ethyl] 5-methylpyrazine-2-carboxylate Openeye Name: [2-[cyclopropyl-[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxo-ethyl] 5-methylpyrazine-2-carboxylate CAS Name: 5-methyl-2-pyrazinecarboxylic acid [2-[cyclopropyl-[(3S)-1,1-dioxo-3-thiolanyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[cyclopropyl-[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate Traditional Name: 5-methylpyrazinic acid [2-[cyclopropyl-[(3S)-1,1-diketothiolan-3-yl]amino]-2-keto-ethyl] ester Formula: C15H19N3O5S MolecularWeight: 353.39346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N=C1)C(=O)OCC(=O)N(C2CC2)C3CCS(=O)(=O)C3

Isomeric SMILES

CC1=NC=C(N=C1)C(=O)OCC(=O)N([C@H]2CCS(=O)(=O)C2)C3CC3

InChI

InChI=1S/C15H19N3O5S/c1-10-6-17-13(7-16-10)15(20)23-8-14(19)18(11-2-3-11)12-4-5-24(21,22)9-12/h6-7,11-12H,2-5,8-9H2,1H3/t12-/m0/s1