4-[2-(2-oxidanylideneimidazolidin-1-yl)ethylsulfanyl]benzoate

Systemtic Name: 4-[2-(2-oxidanylideneimidazolidin-1-yl)ethylsulfanyl]benzoate Openeye Name: 4-[2-(2-oxoimidazolidin-1-yl)ethylsulfanyl]benzoate CAS Name: 4-[2-(2-oxo-1-imidazolidinyl)ethylthio]benzoate IUPAC Name: 4-[2-(2-oxoimidazolidin-1-yl)ethylsulfanyl]benzoate Traditional Name: 4-[2-(2-ketoimidazolidin-1-yl)ethylthio]benzoate Formula: C12H13N2O3S- MolecularWeight: 265.30822

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)N1)CCSC2=CC=C(C=C2)C(=O)[O-]

Isomeric SMILES

C1CN(C(=O)N1)CCSC2=CC=C(C=C2)C(=O)[O-]

InChI

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