5-[(3-iodanyl-5-methoxy-4-prop-2-ynoxy-phenyl)methylidene]-3-[(2-nitrophenyl)methyl]-1,3-thiazolidine-2,4-dione

Systemtic Name: 5-[(3-iodanyl-5-methoxy-4-prop-2-ynoxy-phenyl)methylidene]-3-[(2-nitrophenyl)methyl]-1,3-thiazolidine-2,4-dione Openeye Name: 5-[(3-iodo-5-methoxy-4-prop-2-ynoxy-phenyl)methylene]-3-[(2-nitrophenyl)methyl]thiazolidine-2,4-dione CAS Name: 5-[(3-iodo-5-methoxy-4-prop-2-ynoxyphenyl)methylidene]-3-[(2-nitrophenyl)methyl]thiazolidine-2,4-dione IUPAC Name: 5-[(3-iodo-5-methoxy-4-prop-2-ynoxyphenyl)methylidene]-3-[(2-nitrophenyl)methyl]-1,3-thiazolidine-2,4-dione Traditional Name: 5-(3-iodo-5-methoxy-4-propargyloxy-benzylidene)-3-(2-nitrobenzyl)thiazolidine-2,4-quinone Formula: C21H15IN2O6S MolecularWeight: 550.32307

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=C2C(=O)N(C(=O)S2)CC3=CC=CC=C3[N+](=O)[O-])I)OCC#C

Isomeric SMILES

COC1=C(C(=CC(=C1)C=C2C(=O)N(C(=O)S2)CC3=CC=CC=C3[N+](=O)[O-])I)OCC#C

InChI

InChI=1S/C21H15IN2O6S/c1-3-8-30-19-15(22)9-13(10-17(19)29-2)11-18-20(25)23(21(26)31-18)12-14-6-4-5-7-16(14)24(27)28/h1,4-7,9-11H,8,12H2,2H3