2-(tert-butylsulfanylmethyl)-3-thiophen-2-yl-propanoic acid

Systemtic Name: 2-(tert-butylsulfanylmethyl)-3-thiophen-2-yl-propanoic acid Openeye Name: 2-(tert-butylsulfanylmethyl)-3-(2-thienyl)propanoic acid CAS Name: 2-[(tert-butylthio)methyl]-3-thiophen-2-ylpropanoic acid IUPAC Name: 2-(tert-butylsulfanylmethyl)-3-thiophen-2-ylpropanoic acid Traditional Name: 2-[(tert-butylthio)methyl]-3-(2-thienyl)propionic acid Formula: C12H18O2S2 MolecularWeight: 258.40012

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SCC(CC1=CC=CS1)C(=O)O

Isomeric SMILES

CC(C)(C)SCC(CC1=CC=CS1)C(=O)O

InChI

InChI=1S/C12H18O2S2/c1-12(2,3)16-8-9(11(13)14)7-10-5-4-6-15-10/h4-6,9H,7-8H2,1-3H3,(H,13,14)