2-[3-(3,4-dimethylphenyl)sulfanylpropanoylamino]butanoic acid

Systemtic Name: 2-[3-(3,4-dimethylphenyl)sulfanylpropanoylamino]butanoic acid Openeye Name: 2-[3-(3,4-dimethylphenyl)sulfanylpropanoylamino]butanoic acid CAS Name: 2-[[3-[(3,4-dimethylphenyl)thio]-1-oxopropyl]amino]butanoic acid IUPAC Name: 2-[3-(3,4-dimethylphenyl)sulfanylpropanoylamino]butanoic acid Traditional Name: 2-[3-[(3,4-dimethylphenyl)thio]propanoylamino]butyric acid Formula: C15H21NO3S MolecularWeight: 295.39714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)NC(=O)CCSC1=CC(=C(C=C1)C)C

Isomeric SMILES

CCC(C(=O)O)NC(=O)CCSC1=CC(=C(C=C1)C)C

InChI

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