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

Systemtic Name: 5-[(3-ethoxy-5-nitro-2-oxidanyl-phenyl)methylidene]-3-phenethyl-2-sulfanylidene-1,3-thiazolidin-4-one Openeye Name: 5-[(3-ethoxy-2-hydroxy-5-nitro-phenyl)methylene]-3-phenethyl-2-thioxo-thiazolidin-4-one CAS Name: 5-[(3-ethoxy-2-hydroxy-5-nitrophenyl)methylidene]-3-phenethyl-2-sulfanylidene-4-thiazolidinone IUPAC Name: 5-[(3-ethoxy-2-hydroxy-5-nitrophenyl)methylidene]-3-phenethyl-2-sulfanylidene-1,3-thiazolidin-4-one Traditional Name: 5-(3-ethoxy-2-hydroxy-5-nitro-benzylidene)-3-phenethyl-2-thioxo-thiazolidin-4-one Formula: C20H18N2O5S2 MolecularWeight: 430.49732

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)[N+](=O)[O-])C=C2C(=O)N(C(=S)S2)CCC3=CC=CC=C3)O

Isomeric SMILES

CCOC1=C(C(=CC(=C1)[N+](=O)[O-])C=C2C(=O)N(C(=S)S2)CCC3=CC=CC=C3)O

InChI

InChI=1S/C20H18N2O5S2/c1-2-27-16-12-15(22(25)26)10-14(18(16)23)11-17-19(24)21(20(28)29-17)9-8-13-6-4-3-5-7-13/h3-7,10-12,23H,2,8-9H2,1H3