methyl 2-(1-imidazol-1-yl-2,2-dimethyl-propyl)-6,7-dihydro-1-benzothiophene-5-carboxylate

Systemtic Name: methyl 2-(1-imidazol-1-yl-2,2-dimethyl-propyl)-6,7-dihydro-1-benzothiophene-5-carboxylate Openeye Name: methyl 2-(1-imidazol-1-yl-2,2-dimethyl-propyl)-6,7-dihydrobenzothiophene-5-carboxylate CAS Name: 2-[1-(1-imidazolyl)-2,2-dimethylpropyl]-6,7-dihydro-1-benzothiophene-5-carboxylic acid methyl ester IUPAC Name: methyl 2-(1-imidazol-1-yl-2,2-dimethylpropyl)-6,7-dihydro-1-benzothiophene-5-carboxylate Traditional Name: 2-(1-imidazol-1-yl-2,2-dimethyl-propyl)-6,7-dihydrobenzothiophene-5-carboxylic acid methyl ester Formula: C18H22N2O2S MolecularWeight: 330.44448

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O2S/c1-18(2,3)16(20-8-7-19-11-20)15-10-13-9-12(17(21)22-4)5-6-14(13)23-15/h7-11,16H,5-6H2,1-4H3