methyl 4-[[[(3R)-1,1-bis(oxidanylidene)thiolan-3-yl]carbonylamino]carbamoyl]benzoate

Systemtic Name: methyl 4-[[[(3R)-1,1-bis(oxidanylidene)thiolan-3-yl]carbonylamino]carbamoyl]benzoate Openeye Name: methyl 4-[[[(3R)-1,1-dioxothiolane-3-carbonyl]amino]carbamoyl]benzoate CAS Name: 4-[[[[(3R)-1,1-dioxo-3-thiolanyl]-oxomethyl]hydrazo]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[(3R)-1,1-dioxothiolane-3-carbonyl]amino]carbamoyl]benzoate Traditional Name: 4-[[[(3R)-1,1-diketothiolane-3-carbonyl]amino]carbamoyl]benzoic acid methyl ester Formula: C14H16N2O6S MolecularWeight: 340.35164

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)NNC(=O)C2CCS(=O)(=O)C2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2

InChI

InChI=1S/C14H16N2O6S/c1-22-14(19)10-4-2-9(3-5-10)12(17)15-16-13(18)11-6-7-23(20,21)8-11/h2-5,11H,6-8H2,1H3,(H,15,17)(H,16,18)/t11-/m0/s1