2-[2-(dimethylamino)-2-oxidanylidene-ethyl]sulfanylbenzoic acid

Systemtic Name: 2-[2-(dimethylamino)-2-oxidanylidene-ethyl]sulfanylbenzoic acid Openeye Name: 2-[2-(dimethylamino)-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 2-[[2-(dimethylamino)-2-oxoethyl]thio]benzoic acid IUPAC Name: 2-[2-(dimethylamino)-2-oxoethyl]sulfanylbenzoic acid Traditional Name: 2-[[2-(dimethylamino)-2-keto-ethyl]thio]benzoic acid Formula: C11H13NO3S MolecularWeight: 239.29082

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)CSC1=CC=CC=C1C(=O)O

Isomeric SMILES

CN(C)C(=O)CSC1=CC=CC=C1C(=O)O

InChI

InChI=1S/C11H13NO3S/c1-12(2)10(13)7-16-9-6-4-3-5-8(9)11(14)15/h3-6H,7H2,1-2H3,(H,14,15)