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

Systemtic Name: 3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-5-[(3-iodanyl-5-methoxy-4-prop-2-ynoxy-phenyl)methylidene]-1,3-thiazolidine-2,4-dione Openeye Name: 3-[2-(azepan-1-yl)-2-oxo-ethyl]-5-[(3-iodo-5-methoxy-4-prop-2-ynoxy-phenyl)methylene]thiazolidine-2,4-dione CAS Name: 3-[2-(1-azepanyl)-2-oxoethyl]-5-[(3-iodo-5-methoxy-4-prop-2-ynoxyphenyl)methylidene]thiazolidine-2,4-dione IUPAC Name: 3-[2-(azepan-1-yl)-2-oxoethyl]-5-[(3-iodo-5-methoxy-4-prop-2-ynoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione Traditional Name: 3-[2-(azepan-1-yl)-2-keto-ethyl]-5-(3-iodo-5-methoxy-4-propargyloxy-benzylidene)thiazolidine-2,4-quinone Formula: C22H23IN2O5S MolecularWeight: 554.39789

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23IN2O5S/c1-3-10-30-20-16(23)11-15(12-17(20)29-2)13-18-21(27)25(22(28)31-18)14-19(26)24-8-6-4-5-7-9-24/h1,11-13H,4-10,14H2,2H3