4-(2-propan-2-ylsulfanylethanoylamino)benzoate

Systemtic Name: 4-(2-propan-2-ylsulfanylethanoylamino)benzoate Openeye Name: 4-[(2-isopropylsulfanylacetyl)amino]benzoate CAS Name: 4-[[1-oxo-2-(propan-2-ylthio)ethyl]amino]benzoate IUPAC Name: 4-[(2-propan-2-ylsulfanylacetyl)amino]benzoate Traditional Name: 4-[[2-(isopropylthio)acetyl]amino]benzoate Formula: C12H14NO3S- MolecularWeight: 252.30946

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SCC(=O)NC1=CC=C(C=C1)C(=O)[O-]

Isomeric SMILES

CC(C)SCC(=O)NC1=CC=C(C=C1)C(=O)[O-]

InChI

InChI=1S/C12H15NO3S/c1-8(2)17-7-11(14)13-10-5-3-9(4-6-10)12(15)16/h3-6,8H,7H2,1-2H3,(H,13,14)(H,15,16)/p-1