ethyl 4-[[5-[(3-methoxy-5-nitro-4-oxidanyl-phenyl)methylidene]-4-oxidanylidene-1,3-thiazol-2-yl]amino]benzoate

Systemtic Name: ethyl 4-[[5-[(3-methoxy-5-nitro-4-oxidanyl-phenyl)methylidene]-4-oxidanylidene-1,3-thiazol-2-yl]amino]benzoate Openeye Name: ethyl 4-[[5-[(4-hydroxy-3-methoxy-5-nitro-phenyl)methylene]-4-oxo-thiazol-2-yl]amino]benzoate CAS Name: 4-[[5-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-4-oxo-2-thiazolyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[5-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-4-oxo-1,3-thiazol-2-yl]amino]benzoate Traditional Name: 4-[[5-(4-hydroxy-3-methoxy-5-nitro-benzylidene)-4-keto-2-thiazolin-2-yl]amino]benzoic acid ethyl ester Formula: C20H17N3O7S MolecularWeight: 443.42988

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC2=NC(=O)C(=CC3=CC(=C(C(=C3)OC)O)[N+](=O)[O-])S2

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC2=NC(=O)C(=CC3=CC(=C(C(=C3)OC)O)[N+](=O)[O-])S2

InChI

InChI=1S/C20H17N3O7S/c1-3-30-19(26)12-4-6-13(7-5-12)21-20-22-18(25)16(31-20)10-11-8-14(23(27)28)17(24)15(9-11)29-2/h4-10,24H,3H2,1-2H3,(H,21,22,25)