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

Systemtic Name: 3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-5-[(3-ethoxy-5-iodanyl-4-prop-2-ynoxy-phenyl)methylidene]-1,3-thiazolidine-2,4-dione Openeye Name: 3-[2-(azepan-1-yl)-2-oxo-ethyl]-5-[(3-ethoxy-5-iodo-4-prop-2-ynoxy-phenyl)methylene]thiazolidine-2,4-dione CAS Name: 3-[2-(1-azepanyl)-2-oxoethyl]-5-[(3-ethoxy-5-iodo-4-prop-2-ynoxyphenyl)methylidene]thiazolidine-2,4-dione IUPAC Name: 3-[2-(azepan-1-yl)-2-oxoethyl]-5-[(3-ethoxy-5-iodo-4-prop-2-ynoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione Traditional Name: 3-[2-(azepan-1-yl)-2-keto-ethyl]-5-(3-ethoxy-5-iodo-4-propargyloxy-benzylidene)thiazolidine-2,4-quinone Formula: C23H25IN2O5S MolecularWeight: 568.42447

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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#C

Isomeric SMILES

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

InChI

InChI=1S/C23H25IN2O5S/c1-3-11-31-21-17(24)12-16(13-18(21)30-4-2)14-19-22(28)26(23(29)32-19)15-20(27)25-9-7-5-6-8-10-25/h1,12-14H,4-11,15H2,2H3