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

Systemtic Name: 2-[2-(2,5-dimethylphenyl)sulfanylethanoylamino]-3,3-dimethyl-butanoic acid Openeye Name: 2-[[2-(2,5-dimethylphenyl)sulfanylacetyl]amino]-3,3-dimethyl-butanoic acid CAS Name: 2-[[2-[(2,5-dimethylphenyl)thio]-1-oxoethyl]amino]-3,3-dimethylbutanoic acid IUPAC Name: 2-[[2-(2,5-dimethylphenyl)sulfanylacetyl]amino]-3,3-dimethylbutanoic acid Traditional Name: 2-[[2-[(2,5-dimethylphenyl)thio]acetyl]amino]-3,3-dimethyl-butyric acid Formula: C16H23NO3S MolecularWeight: 309.42372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23NO3S/c1-10-6-7-11(2)12(8-10)21-9-13(18)17-14(15(19)20)16(3,4)5/h6-8,14H,9H2,1-5H3,(H,17,18)(H,19,20)