4-[2-(2-tert-butylsulfanylethanoylamino)ethyl]benzoic acid

Systemtic Name: 4-[2-(2-tert-butylsulfanylethanoylamino)ethyl]benzoic acid Openeye Name: 4-[2-[(2-tert-butylsulfanylacetyl)amino]ethyl]benzoic acid CAS Name: 4-[2-[[2-(tert-butylthio)-1-oxoethyl]amino]ethyl]benzoic acid IUPAC Name: 4-[2-[(2-tert-butylsulfanylacetyl)amino]ethyl]benzoic acid Traditional Name: 4-[2-[[2-(tert-butylthio)acetyl]amino]ethyl]benzoic acid Formula: C15H21NO3S MolecularWeight: 295.39714

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SCC(=O)NCCC1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CC(C)(C)SCC(=O)NCCC1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C15H21NO3S/c1-15(2,3)20-10-13(17)16-9-8-11-4-6-12(7-5-11)14(18)19/h4-7H,8-10H2,1-3H3,(H,16,17)(H,18,19)