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

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

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(=O)NCCCC(=O)O

Isomeric SMILES

CSC1=CC=C(C=C1)C(=O)NCCCC(=O)O

InChI

InChI=1S/C12H15NO3S/c1-17-10-6-4-9(5-7-10)12(16)13-8-2-3-11(14)15/h4-7H,2-3,8H2,1H3,(H,13,16)(H,14,15)