(5E)-3-butyl-5-[(3-ethoxy-5-nitro-4-oxidanyl-phenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

Systemtic Name: (5E)-3-butyl-5-[(3-ethoxy-5-nitro-4-oxidanyl-phenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one Openeye Name: (5E)-3-butyl-5-[(3-ethoxy-4-hydroxy-5-nitro-phenyl)methylene]-2-thioxo-thiazolidin-4-one CAS Name: (5E)-3-butyl-5-[(3-ethoxy-4-hydroxy-5-nitrophenyl)methylidene]-2-sulfanylidene-4-thiazolidinone IUPAC Name: (5E)-3-butyl-5-[(3-ethoxy-4-hydroxy-5-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one Traditional Name: (5E)-3-butyl-5-(3-ethoxy-4-hydroxy-5-nitro-benzylidene)-2-thioxo-thiazolidin-4-one Formula: C16H18N2O5S2 MolecularWeight: 382.45452

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C(=CC2=CC(=C(C(=C2)OCC)O)[N+](=O)[O-])SC1=S

Isomeric SMILES

CCCCN1C(=O)/C(=C\C2=CC(=C(C(=C2)OCC)O)[N+](=O)[O-])/SC1=S

InChI

InChI=1S/C16H18N2O5S2/c1-3-5-6-17-15(20)13(25-16(17)24)9-10-7-11(18(21)22)14(19)12(8-10)23-4-2/h7-9,19H,3-6H2,1-2H3/b13-9+