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

Systemtic Name: 3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-5-[(3-ethoxy-5-iodanyl-4-phenylmethoxy-phenyl)methylidene]-1,3-thiazolidine-2,4-dione Openeye Name: 3-[2-(azepan-1-yl)-2-oxo-ethyl]-5-[(4-benzyloxy-3-ethoxy-5-iodo-phenyl)methylene]thiazolidine-2,4-dione CAS Name: 3-[2-(1-azepanyl)-2-oxoethyl]-5-[(3-ethoxy-5-iodo-4-phenylmethoxyphenyl)methylidene]thiazolidine-2,4-dione IUPAC Name: 3-[2-(azepan-1-yl)-2-oxoethyl]-5-[(3-ethoxy-5-iodo-4-phenylmethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione Traditional Name: 3-[2-(azepan-1-yl)-2-keto-ethyl]-5-(4-benzoxy-3-ethoxy-5-iodo-benzylidene)thiazolidine-2,4-quinone Formula: C27H29IN2O5S MolecularWeight: 620.49903

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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)OCC4=CC=CC=C4

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C=C2C(=O)N(C(=O)S2)CC(=O)N3CCCCCC3)I)OCC4=CC=CC=C4

InChI

InChI=1S/C27H29IN2O5S/c1-2-34-22-15-20(14-21(28)25(22)35-18-19-10-6-5-7-11-19)16-23-26(32)30(27(33)36-23)17-24(31)29-12-8-3-4-9-13-29/h5-7,10-11,14-16H,2-4,8-9,12-13,17-18H2,1H3