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

Systemtic Name: [2-[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-cyclopentyl-amino]-2-oxidanylidene-ethyl] 5-methylpyrazine-2-carboxylate Openeye Name: [2-[cyclopentyl-[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxo-ethyl] 5-methylpyrazine-2-carboxylate CAS Name: 5-methyl-2-pyrazinecarboxylic acid [2-[cyclopentyl-[(3S)-1,1-dioxo-3-thiolanyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[cyclopentyl-[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate Traditional Name: 5-methylpyrazinic acid [2-[cyclopentyl-[(3S)-1,1-diketothiolan-3-yl]amino]-2-keto-ethyl] ester Formula: C17H23N3O5S MolecularWeight: 381.44662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N=C1)C(=O)OCC(=O)N(C2CCCC2)C3CCS(=O)(=O)C3

Isomeric SMILES

CC1=NC=C(N=C1)C(=O)OCC(=O)N([C@H]2CCS(=O)(=O)C2)C3CCCC3

InChI

InChI=1S/C17H23N3O5S/c1-12-8-19-15(9-18-12)17(22)25-10-16(21)20(13-4-2-3-5-13)14-6-7-26(23,24)11-14/h8-9,13-14H,2-7,10-11H2,1H3/t14-/m0/s1