2-[2-(2,5-dimethylphenyl)sulfanylethanoylamino]butanoic acid

Systemtic Name: 2-[2-(2,5-dimethylphenyl)sulfanylethanoylamino]butanoic acid Openeye Name: 2-[[2-(2,5-dimethylphenyl)sulfanylacetyl]amino]butanoic acid CAS Name: 2-[[2-[(2,5-dimethylphenyl)thio]-1-oxoethyl]amino]butanoic acid IUPAC Name: 2-[[2-(2,5-dimethylphenyl)sulfanylacetyl]amino]butanoic acid Traditional Name: 2-[[2-[(2,5-dimethylphenyl)thio]acetyl]amino]butyric acid Formula: C14H19NO3S MolecularWeight: 281.37056

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)NC(=O)CSC1=C(C=CC(=C1)C)C

Isomeric SMILES

CCC(C(=O)O)NC(=O)CSC1=C(C=CC(=C1)C)C

InChI

InChI=1S/C14H19NO3S/c1-4-11(14(17)18)15-13(16)8-19-12-7-9(2)5-6-10(12)3/h5-7,11H,4,8H2,1-3H3,(H,15,16)(H,17,18)