(6S)-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid

Systemtic Name: (6S)-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid Openeye Name: (6S)-6-(1,1-dimethylpropyl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid CAS Name: (6S)-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid IUPAC Name: (6S)-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid Traditional Name: (6S)-6-tert-amyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid Formula: C14H20O2S MolecularWeight: 252.3724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1CCC2=C(C1)SC=C2C(=O)O

Isomeric SMILES

CCC(C)(C)[C@H]1CCC2=C(C1)SC=C2C(=O)O

InChI

InChI=1S/C14H20O2S/c1-4-14(2,3)9-5-6-10-11(13(15)16)8-17-12(10)7-9/h8-9H,4-7H2,1-3H3,(H,15,16)/t9-/m0/s1