methyl 6-[[[(3R)-1,1-bis(oxidanylidene)thiolan-3-yl]carbonylamino]carbamothioylamino]hexanoate

Systemtic Name: methyl 6-[[[(3R)-1,1-bis(oxidanylidene)thiolan-3-yl]carbonylamino]carbamothioylamino]hexanoate Openeye Name: methyl 6-[[[(3R)-1,1-dioxothiolane-3-carbonyl]amino]carbamothioylamino]hexanoate CAS Name: 6-[[[[[(3R)-1,1-dioxo-3-thiolanyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[[(3R)-1,1-dioxothiolane-3-carbonyl]amino]carbamothioylamino]hexanoate Traditional Name: 6-[[[(3R)-1,1-diketothiolane-3-carbonyl]amino]thiocarbamoylamino]hexanoic acid methyl ester Formula: C13H23N3O5S2 MolecularWeight: 365.46882

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC(=S)NNC(=O)C1CCS(=O)(=O)C1

Isomeric SMILES

COC(=O)CCCCCNC(=S)NNC(=O)[C@H]1CCS(=O)(=O)C1

InChI

InChI=1S/C13H23N3O5S2/c1-21-11(17)5-3-2-4-7-14-13(22)16-15-12(18)10-6-8-23(19,20)9-10/h10H,2-9H2,1H3,(H,15,18)(H2,14,16,22)/t10-/m0/s1