(2E)-5-(2,2-dimethylpropanoyl)-4-methoxy-2-[oxidanyl-(phenethylamino)methylidene]thiophen-3-one

Systemtic Name: (2E)-5-(2,2-dimethylpropanoyl)-4-methoxy-2-[oxidanyl-(phenethylamino)methylidene]thiophen-3-one Openeye Name: (2E)-5-(2,2-dimethylpropanoyl)-2-[hydroxy-(phenethylamino)methylene]-4-methoxy-thiophen-3-one CAS Name: (2E)-5-(2,2-dimethyl-1-oxopropyl)-2-[hydroxy-(phenethylamino)methylidene]-4-methoxy-3-thiophenone IUPAC Name: (2E)-5-(2,2-dimethylpropanoyl)-2-[hydroxy-(phenethylamino)methylidene]-4-methoxythiophen-3-one Traditional Name: (2E)-2-[hydroxy-(phenethylamino)methylene]-4-methoxy-5-pivaloyl-thiophen-3-one Formula: C19H23NO4S MolecularWeight: 361.45522

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C1=C(C(=O)C(=C(NCCC2=CC=CC=C2)O)S1)OC

Isomeric SMILES

CC(C)(C)C(=O)C1=C(C(=O)/C(=C(/NCCC2=CC=CC=C2)\O)/S1)OC

InChI

InChI=1S/C19H23NO4S/c1-19(2,3)17(22)16-14(24-4)13(21)15(25-16)18(23)20-11-10-12-8-6-5-7-9-12/h5-9,20,23H,10-11H2,1-4H3/b18-15+