4-[[2-[1,1-bis(oxidanylidene)thiolan-3-yl]ethanoylamino]methyl]benzoic acid

Systemtic Name: 4-[[2-[1,1-bis(oxidanylidene)thiolan-3-yl]ethanoylamino]methyl]benzoic acid Openeye Name: 4-[[[2-(1,1-dioxothiolan-3-yl)acetyl]amino]methyl]benzoic acid CAS Name: 4-[[[2-(1,1-dioxo-3-thiolanyl)-1-oxoethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[2-(1,1-dioxothiolan-3-yl)acetyl]amino]methyl]benzoic acid Traditional Name: 4-[[[2-(1,1-diketothiolan-3-yl)acetyl]amino]methyl]benzoic acid Formula: C14H17NO5S MolecularWeight: 311.35348

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1CC(=O)NCC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

C1CS(=O)(=O)CC1CC(=O)NCC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C14H17NO5S/c16-13(7-11-5-6-21(19,20)9-11)15-8-10-1-3-12(4-2-10)14(17)18/h1-4,11H,5-9H2,(H,15,16)(H,17,18)