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

Systemtic Name: methyl 4-[[1,1-bis(oxidanylidene)thiolan-3-yl]carbonylamino]benzoate Openeye Name: methyl 4-[(1,1-dioxothiolane-3-carbonyl)amino]benzoate CAS Name: 4-[[(1,1-dioxo-3-thiolanyl)-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(1,1-dioxothiolane-3-carbonyl)amino]benzoate Traditional Name: 4-[(1,1-diketothiolane-3-carbonyl)amino]benzoic acid methyl ester Formula: C13H15NO5S MolecularWeight: 297.3269

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO5S/c1-19-13(16)9-2-4-11(5-3-9)14-12(15)10-6-7-20(17,18)8-10/h2-5,10H,6-8H2,1H3,(H,14,15)