(4E)-2-(5-ethyl-4-methyl-thiophen-2-yl)-4-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-1,3-oxazol-5-one

Systemtic Name: (4E)-2-(5-ethyl-4-methyl-thiophen-2-yl)-4-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-1,3-oxazol-5-one Openeye Name: (4E)-2-(5-ethyl-4-methyl-2-thienyl)-4-[(6-nitro-1,3-benzodioxol-5-yl)methylene]oxazol-5-one CAS Name: (4E)-2-(5-ethyl-4-methyl-2-thiophenyl)-4-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-5-oxazolone IUPAC Name: (4E)-2-(5-ethyl-4-methylthiophen-2-yl)-4-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-1,3-oxazol-5-one Traditional Name: (4E)-2-(5-ethyl-4-methyl-2-thienyl)-4-[(6-nitro-1,3-benzodioxol-5-yl)methylene]-2-oxazolin-5-one Formula: C18H14N2O6S MolecularWeight: 386.37856

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(S1)C2=NC(=CC3=CC4=C(C=C3[N+](=O)[O-])OCO4)C(=O)O2)C

Isomeric SMILES

CCC1=C(C=C(S1)C2=N/C(=C/C3=CC4=C(C=C3[N+](=O)[O-])OCO4)/C(=O)O2)C

InChI

InChI=1S/C18H14N2O6S/c1-3-15-9(2)4-16(27-15)17-19-11(18(21)26-17)5-10-6-13-14(25-8-24-13)7-12(10)20(22)23/h4-7H,3,8H2,1-2H3/b11-5+