(4Z)-2-ethylsulfanyl-4-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-1,3-thiazol-5-one

Systemtic Name: (4Z)-2-ethylsulfanyl-4-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-1,3-thiazol-5-one Openeye Name: (4Z)-2-ethylsulfanyl-4-[(6-nitro-1,3-benzodioxol-5-yl)methylene]thiazol-5-one CAS Name: (4Z)-2-(ethylthio)-4-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-5-thiazolone IUPAC Name: (4Z)-2-ethylsulfanyl-4-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-1,3-thiazol-5-one Traditional Name: (4Z)-2-(ethylthio)-4-[(6-nitro-1,3-benzodioxol-5-yl)methylene]-2-thiazolin-5-one Formula: C13H10N2O5S2 MolecularWeight: 338.3589

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC(=CC2=CC3=C(C=C2[N+](=O)[O-])OCO3)C(=O)S1

Isomeric SMILES

CCSC1=N/C(=C\C2=CC3=C(C=C2[N+](=O)[O-])OCO3)/C(=O)S1

InChI

InChI=1S/C13H10N2O5S2/c1-2-21-13-14-8(12(16)22-13)3-7-4-10-11(20-6-19-10)5-9(7)15(17)18/h3-5H,2,6H2,1H3/b8-3-