4-[3-[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-methyl-azaniumyl]propoxy]benzoate

Systemtic Name: 4-[3-[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-methyl-azaniumyl]propoxy]benzoate Openeye Name: 4-[3-[[(3S)-1,1-dioxothiolan-3-yl]-methyl-ammonio]propoxy]benzoate CAS Name: 4-[3-[[(3S)-1,1-dioxo-3-thiolanyl]-methylammonio]propoxy]benzoate IUPAC Name: 4-[3-[[(3S)-1,1-dioxothiolan-3-yl]-methylazaniumyl]propoxy]benzoate Traditional Name: 4-[3-[[(3S)-1,1-diketothiolan-3-yl]-methyl-ammonio]propoxy]benzoate Formula: C15H21NO5S MolecularWeight: 327.39594

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCCOC1=CC=C(C=C1)C(=O)[O-])C2CCS(=O)(=O)C2

Isomeric SMILES

C[NH+](CCCOC1=CC=C(C=C1)C(=O)[O-])[C@H]2CCS(=O)(=O)C2

InChI

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