4-[2-(tert-butylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: 4-[2-(tert-butylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: 4-[2-(tert-butylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 4-[[2-(tert-butylamino)-2-oxoethyl]thio]benzoate IUPAC Name: 4-[2-(tert-butylamino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 4-[[2-(tert-butylamino)-2-keto-ethyl]thio]benzoate Formula: C13H16NO3S- MolecularWeight: 266.33604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CSC1=CC=C(C=C1)C(=O)[O-]

Isomeric SMILES

CC(C)(C)NC(=O)CSC1=CC=C(C=C1)C(=O)[O-]

InChI

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