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

Systemtic Name: 2-[2-(2,5-dimethylphenyl)sulfanylethanoylamino]-3-methyl-butanoic acid Openeye Name: 2-[[2-(2,5-dimethylphenyl)sulfanylacetyl]amino]-3-methyl-butanoic acid CAS Name: 2-[[2-[(2,5-dimethylphenyl)thio]-1-oxoethyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[[2-(2,5-dimethylphenyl)sulfanylacetyl]amino]-3-methylbutanoic acid Traditional Name: 2-[[2-[(2,5-dimethylphenyl)thio]acetyl]amino]-3-methyl-butyric acid Formula: C15H21NO3S MolecularWeight: 295.39714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21NO3S/c1-9(2)14(15(18)19)16-13(17)8-20-12-7-10(3)5-6-11(12)4/h5-7,9,14H,8H2,1-4H3,(H,16,17)(H,18,19)