4-[3-(3,4-dimethylphenyl)sulfanylpropanoylamino]butanoic acid

Systemtic Name: 4-[3-(3,4-dimethylphenyl)sulfanylpropanoylamino]butanoic acid Openeye Name: 4-[3-(3,4-dimethylphenyl)sulfanylpropanoylamino]butanoic acid CAS Name: 4-[[3-[(3,4-dimethylphenyl)thio]-1-oxopropyl]amino]butanoic acid IUPAC Name: 4-[3-(3,4-dimethylphenyl)sulfanylpropanoylamino]butanoic acid Traditional Name: 4-[3-[(3,4-dimethylphenyl)thio]propanoylamino]butyric acid Formula: C15H21NO3S MolecularWeight: 295.39714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCCC(=O)NCCCC(=O)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCCC(=O)NCCCC(=O)O)C

InChI

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