4-[2-(2-propan-2-ylsulfanylethanoylamino)ethyl]benzoic acid

Systemtic Name: 4-[2-(2-propan-2-ylsulfanylethanoylamino)ethyl]benzoic acid Openeye Name: 4-[2-[(2-isopropylsulfanylacetyl)amino]ethyl]benzoic acid CAS Name: 4-[2-[[1-oxo-2-(propan-2-ylthio)ethyl]amino]ethyl]benzoic acid IUPAC Name: 4-[2-[(2-propan-2-ylsulfanylacetyl)amino]ethyl]benzoic acid Traditional Name: 4-[2-[[2-(isopropylthio)acetyl]amino]ethyl]benzoic acid Formula: C14H19NO3S MolecularWeight: 281.37056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO3S/c1-10(2)19-9-13(16)15-8-7-11-3-5-12(6-4-11)14(17)18/h3-6,10H,7-9H2,1-2H3,(H,15,16)(H,17,18)