2-(1-imidazol-1-yl-2,2-dimethyl-propyl)-6,7-dihydro-1-benzothiophene-5-carboxylic acid

Systemtic Name: 2-(1-imidazol-1-yl-2,2-dimethyl-propyl)-6,7-dihydro-1-benzothiophene-5-carboxylic acid Openeye Name: 2-(1-imidazol-1-yl-2,2-dimethyl-propyl)-6,7-dihydrobenzothiophene-5-carboxylic acid CAS Name: 2-[1-(1-imidazolyl)-2,2-dimethylpropyl]-6,7-dihydro-1-benzothiophene-5-carboxylic acid IUPAC Name: 2-(1-imidazol-1-yl-2,2-dimethylpropyl)-6,7-dihydro-1-benzothiophene-5-carboxylic acid Traditional Name: 2-(1-imidazol-1-yl-2,2-dimethyl-propyl)-6,7-dihydrobenzothiophene-5-carboxylic acid Formula: C17H20N2O2S MolecularWeight: 316.4179

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C1=CC2=C(S1)CCC(=C2)C(=O)O)N3C=CN=C3

Isomeric SMILES

CC(C)(C)C(C1=CC2=C(S1)CCC(=C2)C(=O)O)N3C=CN=C3

InChI

InChI=1S/C17H20N2O2S/c1-17(2,3)15(19-7-6-18-10-19)14-9-12-8-11(16(20)21)4-5-13(12)22-14/h6-10,15H,4-5H2,1-3H3,(H,20,21)