methyl 4-[[(5E)-5-[(4-bromanyl-3-nitro-phenyl)methylidene]-3-ethyl-4-oxidanylidene-1,3-thiazolidin-2-ylidene]amino]benzoate

Systemtic Name: methyl 4-[[(5E)-5-[(4-bromanyl-3-nitro-phenyl)methylidene]-3-ethyl-4-oxidanylidene-1,3-thiazolidin-2-ylidene]amino]benzoate Openeye Name: methyl 4-[[(5E)-5-[(4-bromo-3-nitro-phenyl)methylene]-3-ethyl-4-oxo-thiazolidin-2-ylidene]amino]benzoate CAS Name: 4-[[(5E)-5-[(4-bromo-3-nitrophenyl)methylidene]-3-ethyl-4-oxo-2-thiazolidinylidene]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[(5E)-5-[(4-bromo-3-nitrophenyl)methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoate Traditional Name: 4-[[(5E)-5-(4-bromo-3-nitro-benzylidene)-3-ethyl-4-keto-thiazolidin-2-ylidene]amino]benzoic acid methyl ester Formula: C20H16BrN3O5S MolecularWeight: 490.32714

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=CC2=CC(=C(C=C2)Br)[N+](=O)[O-])SC1=NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCN1C(=O)/C(=C\C2=CC(=C(C=C2)Br)[N+](=O)[O-])/SC1=NC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C20H16BrN3O5S/c1-3-23-18(25)17(11-12-4-9-15(21)16(10-12)24(27)28)30-20(23)22-14-7-5-13(6-8-14)19(26)29-2/h4-11H,3H2,1-2H3/b17-11+,22-20?