4-[2-[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-ethyl-azaniumyl]ethoxy]benzoate

Systemtic Name: 4-[2-[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-ethyl-azaniumyl]ethoxy]benzoate Openeye Name: 4-[2-[[(3S)-1,1-dioxothiolan-3-yl]-ethyl-ammonio]ethoxy]benzoate CAS Name: 4-[2-[[(3S)-1,1-dioxo-3-thiolanyl]-ethylammonio]ethoxy]benzoate IUPAC Name: 4-[2-[[(3S)-1,1-dioxothiolan-3-yl]-ethylazaniumyl]ethoxy]benzoate Traditional Name: 4-[2-[[(3S)-1,1-diketothiolan-3-yl]-ethyl-ammonio]ethoxy]benzoate Formula: C15H21NO5S MolecularWeight: 327.39594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21NO5S/c1-2-16(13-7-10-22(19,20)11-13)8-9-21-14-5-3-12(4-6-14)15(17)18/h3-6,13H,2,7-11H2,1H3,(H,17,18)/t13-/m0/s1