5-(1H-imidazol-2-yl)-3,3-dimethyl-4-phenyl-thiophen-2-one ethanoate

Systemtic Name: 5-(1H-imidazol-2-yl)-3,3-dimethyl-4-phenyl-thiophen-2-one ethanoate Openeye Name: 5-(1H-imidazol-2-yl)-3,3-dimethyl-4-phenyl-thiophen-2-one acetate CAS Name: 5-(1H-imidazol-2-yl)-3,3-dimethyl-4-phenyl-2-thiophenone acetate IUPAC Name: 5-(1H-imidazol-2-yl)-3,3-dimethyl-4-phenylthiophen-2-one acetate Traditional Name: 5-(1H-imidazol-2-yl)-3,3-dimethyl-4-phenyl-thiophen-2-one acetate Formula: C17H17N2O3S- MolecularWeight: 329.39348

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[O-].CC1(C(=C(SC1=O)C2=NC=CN2)C3=CC=CC=C3)C

Isomeric SMILES

CC(=O)[O-].CC1(C(=C(SC1=O)C2=NC=CN2)C3=CC=CC=C3)C

InChI

InChI=1S/C15H14N2OS.C2H4O2/c1-15(2)11(10-6-4-3-5-7-10)12(19-14(15)18)13-16-8-9-17-13;1-2(3)4/h3-9H,1-2H3,(H,16,17);1H3,(H,3,4)/p-1