4-[(2-tert-butylsulfanylethanoylamino)methyl]benzoate

Systemtic Name: 4-[(2-tert-butylsulfanylethanoylamino)methyl]benzoate Openeye Name: 4-[[(2-tert-butylsulfanylacetyl)amino]methyl]benzoate CAS Name: 4-[[[2-(tert-butylthio)-1-oxoethyl]amino]methyl]benzoate IUPAC Name: 4-[[(2-tert-butylsulfanylacetyl)amino]methyl]benzoate Traditional Name: 4-[[[2-(tert-butylthio)acetyl]amino]methyl]benzoate Formula: C14H18NO3S- MolecularWeight: 280.36262

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SCC(=O)NCC1=CC=C(C=C1)C(=O)[O-]

Isomeric SMILES

CC(C)(C)SCC(=O)NCC1=CC=C(C=C1)C(=O)[O-]

InChI

InChI=1S/C14H19NO3S/c1-14(2,3)19-9-12(16)15-8-10-4-6-11(7-5-10)13(17)18/h4-7H,8-9H2,1-3H3,(H,15,16)(H,17,18)/p-1