ethyl 4-[(5E)-5-[(3-nitrophenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoate

Systemtic Name: ethyl 4-[(5E)-5-[(3-nitrophenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoate Openeye Name: ethyl 4-[(5E)-5-[(3-nitrophenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]benzoate CAS Name: 4-[(5E)-5-[(3-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(5E)-5-[(3-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoate Traditional Name: 4-[(5E)-4-keto-5-(3-nitrobenzylidene)-2-thioxo-thiazolidin-3-yl]benzoic acid ethyl ester Formula: C19H14N2O5S2 MolecularWeight: 414.45486

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=CC=C3)[N+](=O)[O-])SC2=S

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C(=O)/C(=C\C3=CC(=CC=C3)[N+](=O)[O-])/SC2=S

InChI

InChI=1S/C19H14N2O5S2/c1-2-26-18(23)13-6-8-14(9-7-13)20-17(22)16(28-19(20)27)11-12-4-3-5-15(10-12)21(24)25/h3-11H,2H2,1H3/b16-11+