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

Systemtic Name: (2E)-5-(2,2-dimethylpropanoyl)-4-oxidanyl-2-[oxidanyl(propylamino)methylidene]thiophen-3-one Openeye Name: (2E)-5-(2,2-dimethylpropanoyl)-4-hydroxy-2-[hydroxy(propylamino)methylene]thiophen-3-one CAS Name: (2E)-5-(2,2-dimethyl-1-oxopropyl)-4-hydroxy-2-[hydroxy(propylamino)methylidene]-3-thiophenone IUPAC Name: (2E)-5-(2,2-dimethylpropanoyl)-4-hydroxy-2-[hydroxy(propylamino)methylidene]thiophen-3-one Traditional Name: (2E)-4-hydroxy-2-[hydroxy(propylamino)methylene]-5-pivaloyl-thiophen-3-one Formula: C13H19NO4S MolecularWeight: 285.35926

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=C1C(=O)C(=C(S1)C(=O)C(C)(C)C)O)O

Isomeric SMILES

CCCN/C(=C\1/C(=O)C(=C(S1)C(=O)C(C)(C)C)O)/O

InChI

InChI=1S/C13H19NO4S/c1-5-6-14-12(18)10-8(16)7(15)9(19-10)11(17)13(2,3)4/h14-15,18H,5-6H2,1-4H3/b12-10+