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

Systemtic Name: (2E)-5-(2,2-dimethylpropanoyl)-4-oxidanyl-2-[oxidanyl-(3-phenylpropylamino)methylidene]thiophen-3-one Openeye Name: (2E)-5-(2,2-dimethylpropanoyl)-4-hydroxy-2-[hydroxy-(3-phenylpropylamino)methylene]thiophen-3-one CAS Name: (2E)-5-(2,2-dimethyl-1-oxopropyl)-4-hydroxy-2-[hydroxy-(3-phenylpropylamino)methylidene]-3-thiophenone IUPAC Name: (2E)-5-(2,2-dimethylpropanoyl)-4-hydroxy-2-[hydroxy-(3-phenylpropylamino)methylidene]thiophen-3-one Traditional Name: (2E)-4-hydroxy-2-[hydroxy-(3-phenylpropylamino)methylene]-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(NCCCC2=CC=CC=C2)O)S1)O

Isomeric SMILES

CC(C)(C)C(=O)C1=C(C(=O)/C(=C(/NCCCC2=CC=CC=C2)\O)/S1)O

InChI

InChI=1S/C19H23NO4S/c1-19(2,3)17(23)15-13(21)14(22)16(25-15)18(24)20-11-7-10-12-8-5-4-6-9-12/h4-6,8-9,20-21,24H,7,10-11H2,1-3H3/b18-16+