3,3-dimethyl-2-[2-(thiophen-2-ylmethylsulfanyl)ethanoylamino]butanoic acid

Systemtic Name: 3,3-dimethyl-2-[2-(thiophen-2-ylmethylsulfanyl)ethanoylamino]butanoic acid Openeye Name: 3,3-dimethyl-2-[[2-(2-thienylmethylsulfanyl)acetyl]amino]butanoic acid CAS Name: 3,3-dimethyl-2-[[1-oxo-2-(thiophen-2-ylmethylthio)ethyl]amino]butanoic acid IUPAC Name: 3,3-dimethyl-2-[[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]butanoic acid Traditional Name: 3,3-dimethyl-2-[[2-(2-thenylthio)acetyl]amino]butyric acid Formula: C13H19NO3S2 MolecularWeight: 301.42486

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C(=O)O)NC(=O)CSCC1=CC=CS1

Isomeric SMILES

CC(C)(C)C(C(=O)O)NC(=O)CSCC1=CC=CS1

InChI

InChI=1S/C13H19NO3S2/c1-13(2,3)11(12(16)17)14-10(15)8-18-7-9-5-4-6-19-9/h4-6,11H,7-8H2,1-3H3,(H,14,15)(H,16,17)