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

Systemtic Name: 2-[1-(diethylamino)-1-oxidanylidene-propan-2-yl]sulfanylbenzoic acid Openeye Name: 2-[2-(diethylamino)-1-methyl-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 2-[[1-(diethylamino)-1-oxopropan-2-yl]thio]benzoic acid IUPAC Name: 2-[1-(diethylamino)-1-oxopropan-2-yl]sulfanylbenzoic acid Traditional Name: 2-[[2-(diethylamino)-2-keto-1-methyl-ethyl]thio]benzoic acid Formula: C14H19NO3S MolecularWeight: 281.37056

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C(C)SC1=CC=CC=C1C(=O)O

Isomeric SMILES

CCN(CC)C(=O)C(C)SC1=CC=CC=C1C(=O)O

InChI

InChI=1S/C14H19NO3S/c1-4-15(5-2)13(16)10(3)19-12-9-7-6-8-11(12)14(17)18/h6-10H,4-5H2,1-3H3,(H,17,18)