4-[2-(azetidin-1-yl)-2-oxidanylidene-ethyl]sulfanylbenzoic acid

Systemtic Name: 4-[2-(azetidin-1-yl)-2-oxidanylidene-ethyl]sulfanylbenzoic acid Openeye Name: 4-[2-(azetidin-1-yl)-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 4-[[2-(1-azetidinyl)-2-oxoethyl]thio]benzoic acid IUPAC Name: 4-[2-(azetidin-1-yl)-2-oxoethyl]sulfanylbenzoic acid Traditional Name: 4-[[2-(azetidin-1-yl)-2-keto-ethyl]thio]benzoic acid Formula: C12H13NO3S MolecularWeight: 251.30152

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C1)C(=O)CSC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

C1CN(C1)C(=O)CSC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C12H13NO3S/c14-11(13-6-1-7-13)8-17-10-4-2-9(3-5-10)12(15)16/h2-5H,1,6-8H2,(H,15,16)