2-[2-(tert-butylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: 2-[2-(tert-butylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: 2-[2-(tert-butylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(tert-butylamino)-2-oxoethyl]thio]benzoate IUPAC Name: 2-[2-(tert-butylamino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-(tert-butylamino)-2-keto-ethyl]thio]benzoate Formula: C13H16NO3S- MolecularWeight: 266.33604

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CSC1=CC=CC=C1C(=O)[O-]

Isomeric SMILES

CC(C)(C)NC(=O)CSC1=CC=CC=C1C(=O)[O-]

InChI

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