4-[(2-methylsulfanylphenyl)carbonylamino]butanoic acid

Systemtic Name: 4-[(2-methylsulfanylphenyl)carbonylamino]butanoic acid Openeye Name: 4-[(2-methylsulfanylbenzoyl)amino]butanoic acid CAS Name: 4-[[[2-(methylthio)phenyl]-oxomethyl]amino]butanoic acid IUPAC Name: 4-[(2-methylsulfanylbenzoyl)amino]butanoic acid Traditional Name: 4-[[2-(methylthio)benzoyl]amino]butyric acid Formula: C12H15NO3S MolecularWeight: 253.3174

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1C(=O)NCCCC(=O)O

Isomeric SMILES

CSC1=CC=CC=C1C(=O)NCCCC(=O)O

InChI

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