3-(2-tert-butylsulfanylethanoylamino)benzoic acid

Systemtic Name: 3-(2-tert-butylsulfanylethanoylamino)benzoic acid Openeye Name: 3-[(2-tert-butylsulfanylacetyl)amino]benzoic acid CAS Name: 3-[[2-(tert-butylthio)-1-oxoethyl]amino]benzoic acid IUPAC Name: 3-[(2-tert-butylsulfanylacetyl)amino]benzoic acid Traditional Name: 3-[[2-(tert-butylthio)acetyl]amino]benzoic acid Formula: C13H17NO3S MolecularWeight: 267.34398

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SCC(=O)NC1=CC=CC(=C1)C(=O)O

Isomeric SMILES

CC(C)(C)SCC(=O)NC1=CC=CC(=C1)C(=O)O

InChI

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