4-[2-(2,5-dimethylphenyl)sulfanylethanoyl-methyl-amino]butanoic acid

Systemtic Name: 4-[2-(2,5-dimethylphenyl)sulfanylethanoyl-methyl-amino]butanoic acid Openeye Name: 4-[[2-(2,5-dimethylphenyl)sulfanylacetyl]-methyl-amino]butanoic acid CAS Name: 4-[[2-[(2,5-dimethylphenyl)thio]-1-oxoethyl]-methylamino]butanoic acid IUPAC Name: 4-[[2-(2,5-dimethylphenyl)sulfanylacetyl]-methylamino]butanoic acid Traditional Name: 4-[[2-[(2,5-dimethylphenyl)thio]acetyl]-methyl-amino]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)N(C)CCCC(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)SCC(=O)N(C)CCCC(=O)O

InChI

InChI=1S/C15H21NO3S/c1-11-6-7-12(2)13(9-11)20-10-14(17)16(3)8-4-5-15(18)19/h6-7,9H,4-5,8,10H2,1-3H3,(H,18,19)