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

Systemtic Name: 3-[[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-ethyl-azaniumyl]methyl]benzoate Openeye Name: 3-[[[(3S)-1,1-dioxothiolan-3-yl]-ethyl-ammonio]methyl]benzoate CAS Name: 3-[[[(3S)-1,1-dioxo-3-thiolanyl]-ethylammonio]methyl]benzoate IUPAC Name: 3-[[[(3S)-1,1-dioxothiolan-3-yl]-ethylazaniumyl]methyl]benzoate Traditional Name: 3-[[[(3S)-1,1-diketothiolan-3-yl]-ethyl-ammonio]methyl]benzoate Formula: C14H19NO4S MolecularWeight: 297.36996

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=CC(=C1)C(=O)[O-])C2CCS(=O)(=O)C2

Isomeric SMILES

CC[NH+](CC1=CC=CC(=C1)C(=O)[O-])[C@H]2CCS(=O)(=O)C2

InChI

InChI=1S/C14H19NO4S/c1-2-15(13-6-7-20(18,19)10-13)9-11-4-3-5-12(8-11)14(16)17/h3-5,8,13H,2,6-7,9-10H2,1H3,(H,16,17)/t13-/m0/s1