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

Systemtic Name: (2E)-5-(2,2-dimethylpropanoyl)-4-oxidanyl-2-[oxidanyl-(phenethylamino)methylidene]thiophen-3-one Openeye Name: (2E)-5-(2,2-dimethylpropanoyl)-4-hydroxy-2-[hydroxy-(phenethylamino)methylene]thiophen-3-one CAS Name: (2E)-5-(2,2-dimethyl-1-oxopropyl)-4-hydroxy-2-[hydroxy-(phenethylamino)methylidene]-3-thiophenone IUPAC Name: (2E)-5-(2,2-dimethylpropanoyl)-4-hydroxy-2-[hydroxy-(phenethylamino)methylidene]thiophen-3-one Traditional Name: (2E)-4-hydroxy-2-[hydroxy-(phenethylamino)methylene]-5-pivaloyl-thiophen-3-one Formula: C18H21NO4S MolecularWeight: 347.42864

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C18H21NO4S/c1-18(2,3)16(22)14-12(20)13(21)15(24-14)17(23)19-10-9-11-7-5-4-6-8-11/h4-8,19-20,23H,9-10H2,1-3H3/b17-15+