5-[(4-butan-2-yloxy-3-chloranyl-5-methoxy-phenyl)methylidene]-3-[(4-nitrophenyl)methyl]-1,3-thiazolidine-2,4-dione

Systemtic Name: 5-[(4-butan-2-yloxy-3-chloranyl-5-methoxy-phenyl)methylidene]-3-[(4-nitrophenyl)methyl]-1,3-thiazolidine-2,4-dione Openeye Name: 5-[(3-chloro-5-methoxy-4-sec-butoxy-phenyl)methylene]-3-[(4-nitrophenyl)methyl]thiazolidine-2,4-dione CAS Name: 5-[(4-butan-2-yloxy-3-chloro-5-methoxyphenyl)methylidene]-3-[(4-nitrophenyl)methyl]thiazolidine-2,4-dione IUPAC Name: 5-[(4-butan-2-yloxy-3-chloro-5-methoxyphenyl)methylidene]-3-[(4-nitrophenyl)methyl]-1,3-thiazolidine-2,4-dione Traditional Name: 5-(3-chloro-5-methoxy-4-sec-butoxy-benzylidene)-3-(4-nitrobenzyl)thiazolidine-2,4-quinone Formula: C22H21ClN2O6S MolecularWeight: 476.92994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC1=C(C=C(C=C1Cl)C=C2C(=O)N(C(=O)S2)CC3=CC=C(C=C3)[N+](=O)[O-])OC

Isomeric SMILES

CCC(C)OC1=C(C=C(C=C1Cl)C=C2C(=O)N(C(=O)S2)CC3=CC=C(C=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C22H21ClN2O6S/c1-4-13(2)31-20-17(23)9-15(10-18(20)30-3)11-19-21(26)24(22(27)32-19)12-14-5-7-16(8-6-14)25(28)29/h5-11,13H,4,12H2,1-3H3