3,3-dimethyl-2-(2-thiophen-2-ylsulfanylethanoylamino)butanoic acid

Systemtic Name: 3,3-dimethyl-2-(2-thiophen-2-ylsulfanylethanoylamino)butanoic acid Openeye Name: 3,3-dimethyl-2-[[2-(2-thienylsulfanyl)acetyl]amino]butanoic acid CAS Name: 3,3-dimethyl-2-[[1-oxo-2-(thiophen-2-ylthio)ethyl]amino]butanoic acid IUPAC Name: 3,3-dimethyl-2-[(2-thiophen-2-ylsulfanylacetyl)amino]butanoic acid Traditional Name: 3,3-dimethyl-2-[[2-(2-thienylthio)acetyl]amino]butyric acid Formula: C12H17NO3S2 MolecularWeight: 287.39828

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C(=O)O)NC(=O)CSC1=CC=CS1

Isomeric SMILES

CC(C)(C)C(C(=O)O)NC(=O)CSC1=CC=CS1

InChI

InChI=1S/C12H17NO3S2/c1-12(2,3)10(11(15)16)13-8(14)7-18-9-5-4-6-17-9/h4-6,10H,7H2,1-3H3,(H,13,14)(H,15,16)