3-[2-[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-methyl-azaniumyl]ethoxy]benzoate

Systemtic Name: 3-[2-[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-methyl-azaniumyl]ethoxy]benzoate Openeye Name: 3-[2-[[(3S)-1,1-dioxothiolan-3-yl]-methyl-ammonio]ethoxy]benzoate CAS Name: 3-[2-[[(3S)-1,1-dioxo-3-thiolanyl]-methylammonio]ethoxy]benzoate IUPAC Name: 3-[2-[[(3S)-1,1-dioxothiolan-3-yl]-methylazaniumyl]ethoxy]benzoate Traditional Name: 3-[2-[[(3S)-1,1-diketothiolan-3-yl]-methyl-ammonio]ethoxy]benzoate Formula: C14H19NO5S MolecularWeight: 313.36936

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCOC1=CC=CC(=C1)C(=O)[O-])C2CCS(=O)(=O)C2

Isomeric SMILES

C[NH+](CCOC1=CC=CC(=C1)C(=O)[O-])[C@H]2CCS(=O)(=O)C2

InChI

InChI=1S/C14H19NO5S/c1-15(12-5-8-21(18,19)10-12)6-7-20-13-4-2-3-11(9-13)14(16)17/h2-4,9,12H,5-8,10H2,1H3,(H,16,17)/t12-/m0/s1