4-[1-(methylamino)-1-oxidanylidene-propan-2-yl]sulfanylbenzoic acid

Systemtic Name: 4-[1-(methylamino)-1-oxidanylidene-propan-2-yl]sulfanylbenzoic acid Openeye Name: 4-[1-methyl-2-(methylamino)-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 4-[[1-(methylamino)-1-oxopropan-2-yl]thio]benzoic acid IUPAC Name: 4-[1-(methylamino)-1-oxopropan-2-yl]sulfanylbenzoic acid Traditional Name: 4-[[2-keto-1-methyl-2-(methylamino)ethyl]thio]benzoic acid Formula: C11H13NO3S MolecularWeight: 239.29082

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC)SC1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CC(C(=O)NC)SC1=CC=C(C=C1)C(=O)O

InChI

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