2-[[1-(dimethylamino)-1-oxidanylidene-propan-2-yl]sulfanylmethyl]benzoic acid

Systemtic Name: 2-[[1-(dimethylamino)-1-oxidanylidene-propan-2-yl]sulfanylmethyl]benzoic acid Openeye Name: 2-[[2-(dimethylamino)-1-methyl-2-oxo-ethyl]sulfanylmethyl]benzoic acid CAS Name: 2-[[[1-(dimethylamino)-1-oxopropan-2-yl]thio]methyl]benzoic acid IUPAC Name: 2-[[1-(dimethylamino)-1-oxopropan-2-yl]sulfanylmethyl]benzoic acid Traditional Name: 2-[[[2-(dimethylamino)-2-keto-1-methyl-ethyl]thio]methyl]benzoic acid Formula: C13H17NO3S MolecularWeight: 267.34398

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)C)SCC1=CC=CC=C1C(=O)O

Isomeric SMILES

CC(C(=O)N(C)C)SCC1=CC=CC=C1C(=O)O

InChI

InChI=1S/C13H17NO3S/c1-9(12(15)14(2)3)18-8-10-6-4-5-7-11(10)13(16)17/h4-7,9H,8H2,1-3H3,(H,16,17)