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

Systemtic Name: 3-[2-[1,1-bis(oxidanylidene)thiolan-3-yl]ethanoylamino]-4-chloranyl-benzoic acid Openeye Name: 4-chloro-3-[[2-(1,1-dioxothiolan-3-yl)acetyl]amino]benzoic acid CAS Name: 4-chloro-3-[[2-(1,1-dioxo-3-thiolanyl)-1-oxoethyl]amino]benzoic acid IUPAC Name: 4-chloro-3-[[2-(1,1-dioxothiolan-3-yl)acetyl]amino]benzoic acid Traditional Name: 4-chloro-3-[[2-(1,1-diketothiolan-3-yl)acetyl]amino]benzoic acid Formula: C13H14ClNO5S MolecularWeight: 331.77196

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1CC(=O)NC2=C(C=CC(=C2)C(=O)O)Cl

Isomeric SMILES

C1CS(=O)(=O)CC1CC(=O)NC2=C(C=CC(=C2)C(=O)O)Cl

InChI

InChI=1S/C13H14ClNO5S/c14-10-2-1-9(13(17)18)6-11(10)15-12(16)5-8-3-4-21(19,20)7-8/h1-2,6,8H,3-5,7H2,(H,15,16)(H,17,18)