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

Systemtic Name: 4-[(2-methylsulfanylethanoylamino)methyl]benzoic acid Openeye Name: 4-[[(2-methylsulfanylacetyl)amino]methyl]benzoic acid CAS Name: 4-[[[2-(methylthio)-1-oxoethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[(2-methylsulfanylacetyl)amino]methyl]benzoic acid Traditional Name: 4-[[[2-(methylthio)acetyl]amino]methyl]benzoic acid Formula: C11H13NO3S MolecularWeight: 239.29082

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Descriptors Computed from Structure

Canonical SMILES:

CSCC(=O)NCC1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CSCC(=O)NCC1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C11H13NO3S/c1-16-7-10(13)12-6-8-2-4-9(5-3-8)11(14)15/h2-5H,6-7H2,1H3,(H,12,13)(H,14,15)