4-[3-(3,4-dimethylphenyl)sulfanylpropanoyl-methyl-amino]butanoic acid

Systemtic Name: 4-[3-(3,4-dimethylphenyl)sulfanylpropanoyl-methyl-amino]butanoic acid Openeye Name: 4-[3-(3,4-dimethylphenyl)sulfanylpropanoyl-methyl-amino]butanoic acid CAS Name: 4-[[3-[(3,4-dimethylphenyl)thio]-1-oxopropyl]-methylamino]butanoic acid IUPAC Name: 4-[3-(3,4-dimethylphenyl)sulfanylpropanoyl-methylamino]butanoic acid Traditional Name: 4-[3-[(3,4-dimethylphenyl)thio]propanoyl-methyl-amino]butyric acid Formula: C16H23NO3S MolecularWeight: 309.42372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCCC(=O)N(C)CCCC(=O)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCCC(=O)N(C)CCCC(=O)O)C

InChI

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