3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-5-[(3,4-diethoxy-5-iodanyl-phenyl)methylidene]-1,3-thiazolidine-2,4-dione

Systemtic Name: 3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-5-[(3,4-diethoxy-5-iodanyl-phenyl)methylidene]-1,3-thiazolidine-2,4-dione Openeye Name: 3-[2-(azepan-1-yl)-2-oxo-ethyl]-5-[(3,4-diethoxy-5-iodo-phenyl)methylene]thiazolidine-2,4-dione CAS Name: 3-[2-(1-azepanyl)-2-oxoethyl]-5-[(3,4-diethoxy-5-iodophenyl)methylidene]thiazolidine-2,4-dione IUPAC Name: 3-[2-(azepan-1-yl)-2-oxoethyl]-5-[(3,4-diethoxy-5-iodophenyl)methylidene]-1,3-thiazolidine-2,4-dione Traditional Name: 3-[2-(azepan-1-yl)-2-keto-ethyl]-5-(3,4-diethoxy-5-iodo-benzylidene)thiazolidine-2,4-quinone Formula: C22H27IN2O5S MolecularWeight: 558.42965

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27IN2O5S/c1-3-29-17-12-15(11-16(23)20(17)30-4-2)13-18-21(27)25(22(28)31-18)14-19(26)24-9-7-5-6-8-10-24/h11-13H,3-10,14H2,1-2H3