3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-5-[(5-bromanyl-3-ethoxy-2-oxidanyl-phenyl)methylidene]-1,3-thiazolidine-2,4-dione

Systemtic Name: 3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-5-[(5-bromanyl-3-ethoxy-2-oxidanyl-phenyl)methylidene]-1,3-thiazolidine-2,4-dione Openeye Name: 3-[2-(azepan-1-yl)-2-oxo-ethyl]-5-[(5-bromo-3-ethoxy-2-hydroxy-phenyl)methylene]thiazolidine-2,4-dione CAS Name: 3-[2-(1-azepanyl)-2-oxoethyl]-5-[(5-bromo-3-ethoxy-2-hydroxyphenyl)methylidene]thiazolidine-2,4-dione IUPAC Name: 3-[2-(azepan-1-yl)-2-oxoethyl]-5-[(5-bromo-3-ethoxy-2-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione Traditional Name: 3-[2-(azepan-1-yl)-2-keto-ethyl]-5-(5-bromo-3-ethoxy-2-hydroxy-benzylidene)thiazolidine-2,4-quinone Formula: C20H23BrN2O5S MolecularWeight: 483.37602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)Br)C=C2C(=O)N(C(=O)S2)CC(=O)N3CCCCCC3)O

Isomeric SMILES

CCOC1=C(C(=CC(=C1)Br)C=C2C(=O)N(C(=O)S2)CC(=O)N3CCCCCC3)O

InChI

InChI=1S/C20H23BrN2O5S/c1-2-28-15-11-14(21)9-13(18(15)25)10-16-19(26)23(20(27)29-16)12-17(24)22-7-5-3-4-6-8-22/h9-11,25H,2-8,12H2,1H3