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

Systemtic Name: 4-[1-(tert-butylamino)-1-oxidanylidene-propan-2-yl]sulfanylbenzoic acid Openeye Name: 4-[2-(tert-butylamino)-1-methyl-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 4-[[1-(tert-butylamino)-1-oxopropan-2-yl]thio]benzoic acid IUPAC Name: 4-[1-(tert-butylamino)-1-oxopropan-2-yl]sulfanylbenzoic acid Traditional Name: 4-[[2-(tert-butylamino)-2-keto-1-methyl-ethyl]thio]benzoic acid Formula: C14H19NO3S MolecularWeight: 281.37056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO3S/c1-9(12(16)15-14(2,3)4)19-11-7-5-10(6-8-11)13(17)18/h5-9H,1-4H3,(H,15,16)(H,17,18)