4-[2-(dimethylamino)-2-oxidanylidene-ethyl]sulfanylbenzoic acid

Systemtic Name: 4-[2-(dimethylamino)-2-oxidanylidene-ethyl]sulfanylbenzoic acid Openeye Name: 4-[2-(dimethylamino)-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 4-[[2-(dimethylamino)-2-oxoethyl]thio]benzoic acid IUPAC Name: 4-[2-(dimethylamino)-2-oxoethyl]sulfanylbenzoic acid Traditional Name: 4-[[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=C(C=C1)C(=O)O

Isomeric SMILES

CN(C)C(=O)CSC1=CC=C(C=C1)C(=O)O

InChI

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