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

Systemtic Name: 2-(tert-butylsulfonylmethyl)-3-thiophen-3-yl-propanoic acid Openeye Name: 2-(tert-butylsulfonylmethyl)-3-(3-thienyl)propanoic acid CAS Name: 2-(tert-butylsulfonylmethyl)-3-(3-thiophenyl)propanoic acid IUPAC Name: 2-(tert-butylsulfonylmethyl)-3-thiophen-3-ylpropanoic acid Traditional Name: 2-(tert-butylsulfonylmethyl)-3-(3-thienyl)propionic acid Formula: C12H18O4S2 MolecularWeight: 290.39892

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)S(=O)(=O)CC(CC1=CSC=C1)C(=O)O

Isomeric SMILES

CC(C)(C)S(=O)(=O)CC(CC1=CSC=C1)C(=O)O

InChI

InChI=1S/C12H18O4S2/c1-12(2,3)18(15,16)8-10(11(13)14)6-9-4-5-17-7-9/h4-5,7,10H,6,8H2,1-3H3,(H,13,14)