3-[2-(2,5-dimethylphenyl)sulfanylethanoylamino]butanoic acid

Systemtic Name: 3-[2-(2,5-dimethylphenyl)sulfanylethanoylamino]butanoic acid Openeye Name: 3-[[2-(2,5-dimethylphenyl)sulfanylacetyl]amino]butanoic acid CAS Name: 3-[[2-[(2,5-dimethylphenyl)thio]-1-oxoethyl]amino]butanoic acid IUPAC Name: 3-[[2-(2,5-dimethylphenyl)sulfanylacetyl]amino]butanoic acid Traditional Name: 3-[[2-[(2,5-dimethylphenyl)thio]acetyl]amino]butyric acid Formula: C14H19NO3S MolecularWeight: 281.37056

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)SCC(=O)NC(C)CC(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)SCC(=O)NC(C)CC(=O)O

InChI

InChI=1S/C14H19NO3S/c1-9-4-5-10(2)12(6-9)19-8-13(16)15-11(3)7-14(17)18/h4-6,11H,7-8H2,1-3H3,(H,15,16)(H,17,18)