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

Systemtic Name: 5-[(3-ethoxy-4-prop-2-ynoxy-phenyl)methylidene]-3-[(3-nitrophenyl)methyl]-1,3-thiazolidine-2,4-dione Openeye Name: 5-[(3-ethoxy-4-prop-2-ynoxy-phenyl)methylene]-3-[(3-nitrophenyl)methyl]thiazolidine-2,4-dione CAS Name: 5-[(3-ethoxy-4-prop-2-ynoxyphenyl)methylidene]-3-[(3-nitrophenyl)methyl]thiazolidine-2,4-dione IUPAC Name: 5-[(3-ethoxy-4-prop-2-ynoxyphenyl)methylidene]-3-[(3-nitrophenyl)methyl]-1,3-thiazolidine-2,4-dione Traditional Name: 5-(3-ethoxy-4-propargyloxy-benzylidene)-3-(3-nitrobenzyl)thiazolidine-2,4-quinone Formula: C22H18N2O6S MolecularWeight: 438.45312

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C2C(=O)N(C(=O)S2)CC3=CC(=CC=C3)[N+](=O)[O-])OCC#C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C=C2C(=O)N(C(=O)S2)CC3=CC(=CC=C3)[N+](=O)[O-])OCC#C

InChI

InChI=1S/C22H18N2O6S/c1-3-10-30-18-9-8-15(12-19(18)29-4-2)13-20-21(25)23(22(26)31-20)14-16-6-5-7-17(11-16)24(27)28/h1,5-9,11-13H,4,10,14H2,2H3