4-[2-(2-methylsulfanylethanoylamino)ethyl]benzoic acid

Systemtic Name: 4-[2-(2-methylsulfanylethanoylamino)ethyl]benzoic acid Openeye Name: 4-[2-[(2-methylsulfanylacetyl)amino]ethyl]benzoic acid CAS Name: 4-[2-[[2-(methylthio)-1-oxoethyl]amino]ethyl]benzoic acid IUPAC Name: 4-[2-[(2-methylsulfanylacetyl)amino]ethyl]benzoic acid Traditional Name: 4-[2-[[2-(methylthio)acetyl]amino]ethyl]benzoic acid Formula: C12H15NO3S MolecularWeight: 253.3174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO3S/c1-17-8-11(14)13-7-6-9-2-4-10(5-3-9)12(15)16/h2-5H,6-8H2,1H3,(H,13,14)(H,15,16)