4-[(3-methylsulfanylpropanoylamino)methyl]benzoic acid

Systemtic Name: 4-[(3-methylsulfanylpropanoylamino)methyl]benzoic acid Openeye Name: 4-[(3-methylsulfanylpropanoylamino)methyl]benzoic acid CAS Name: 4-[[[3-(methylthio)-1-oxopropyl]amino]methyl]benzoic acid IUPAC Name: 4-[(3-methylsulfanylpropanoylamino)methyl]benzoic acid Traditional Name: 4-[[3-(methylthio)propanoylamino]methyl]benzoic acid Formula: C12H15NO3S MolecularWeight: 253.3174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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