3-(tert-butylsulfanylmethyl)-1-benzothiophene-2-carboxylic acid

Systemtic Name: 3-(tert-butylsulfanylmethyl)-1-benzothiophene-2-carboxylic acid Openeye Name: 3-(tert-butylsulfanylmethyl)benzothiophene-2-carboxylic acid CAS Name: 3-[(tert-butylthio)methyl]-1-benzothiophene-2-carboxylic acid IUPAC Name: 3-(tert-butylsulfanylmethyl)-1-benzothiophene-2-carboxylic acid Traditional Name: 3-[(tert-butylthio)methyl]benzothiophene-2-carboxylic acid Formula: C14H16O2S2 MolecularWeight: 280.40564

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SCC1=C(SC2=CC=CC=C21)C(=O)O

Isomeric SMILES

CC(C)(C)SCC1=C(SC2=CC=CC=C21)C(=O)O

InChI

InChI=1S/C14H16O2S2/c1-14(2,3)17-8-10-9-6-4-5-7-11(9)18-12(10)13(15)16/h4-7H,8H2,1-3H3,(H,15,16)