6-tert-butyl-1-benzothiophene-3-carboxylate

Systemtic Name: 6-tert-butyl-1-benzothiophene-3-carboxylate Openeye Name: 6-tert-butylbenzothiophene-3-carboxylate CAS Name: 6-tert-butyl-1-benzothiophene-3-carboxylate IUPAC Name: 6-tert-butyl-1-benzothiophene-3-carboxylate Traditional Name: 6-tert-butylbenzothiophene-3-carboxylate Formula: C13H13O2S- MolecularWeight: 233.30612

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C(C=C1)C(=CS2)C(=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC2=C(C=C1)C(=CS2)C(=O)[O-]

InChI

InChI=1S/C13H14O2S/c1-13(2,3)8-4-5-9-10(12(14)15)7-16-11(9)6-8/h4-7H,1-3H3,(H,14,15)/p-1