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

Systemtic Name: 3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-5-[(2-bromanyl-5-methoxy-4-prop-2-enoxy-phenyl)methylidene]-1,3-thiazolidine-2,4-dione Openeye Name: 5-[(4-allyloxy-2-bromo-5-methoxy-phenyl)methylene]-3-[2-(azepan-1-yl)-2-oxo-ethyl]thiazolidine-2,4-dione CAS Name: 3-[2-(1-azepanyl)-2-oxoethyl]-5-[(2-bromo-5-methoxy-4-prop-2-enoxyphenyl)methylidene]thiazolidine-2,4-dione IUPAC Name: 3-[2-(azepan-1-yl)-2-oxoethyl]-5-[(2-bromo-5-methoxy-4-prop-2-enoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione Traditional Name: 5-(4-allyloxy-2-bromo-5-methoxy-benzylidene)-3-[2-(azepan-1-yl)-2-keto-ethyl]thiazolidine-2,4-quinone Formula: C22H25BrN2O5S MolecularWeight: 509.4133

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C=C2C(=O)N(C(=O)S2)CC(=O)N3CCCCCC3)Br)OCC=C

Isomeric SMILES

COC1=C(C=C(C(=C1)C=C2C(=O)N(C(=O)S2)CC(=O)N3CCCCCC3)Br)OCC=C

InChI

InChI=1S/C22H25BrN2O5S/c1-3-10-30-18-13-16(23)15(11-17(18)29-2)12-19-21(27)25(22(28)31-19)14-20(26)24-8-6-4-5-7-9-24/h3,11-13H,1,4-10,14H2,2H3