2-[2-(2-oxidanylideneimidazolidin-1-yl)ethylsulfanyl]benzoic acid

Systemtic Name: 2-[2-(2-oxidanylideneimidazolidin-1-yl)ethylsulfanyl]benzoic acid Openeye Name: 2-[2-(2-oxoimidazolidin-1-yl)ethylsulfanyl]benzoic acid CAS Name: 2-[2-(2-oxo-1-imidazolidinyl)ethylthio]benzoic acid IUPAC Name: 2-[2-(2-oxoimidazolidin-1-yl)ethylsulfanyl]benzoic acid Traditional Name: 2-[2-(2-ketoimidazolidin-1-yl)ethylthio]benzoic acid Formula: C12H14N2O3S MolecularWeight: 266.31616

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)N1)CCSC2=CC=CC=C2C(=O)O

Isomeric SMILES

C1CN(C(=O)N1)CCSC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C12H14N2O3S/c15-11(16)9-3-1-2-4-10(9)18-8-7-14-6-5-13-12(14)17/h1-4H,5-8H2,(H,13,17)(H,15,16)