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

Systemtic Name: 3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-5-[(2-bromanyl-5-ethoxy-4-prop-2-ynoxy-phenyl)methylidene]-1,3-thiazolidine-2,4-dione Openeye Name: 3-[2-(azepan-1-yl)-2-oxo-ethyl]-5-[(2-bromo-5-ethoxy-4-prop-2-ynoxy-phenyl)methylene]thiazolidine-2,4-dione CAS Name: 3-[2-(1-azepanyl)-2-oxoethyl]-5-[(2-bromo-5-ethoxy-4-prop-2-ynoxyphenyl)methylidene]thiazolidine-2,4-dione IUPAC Name: 3-[2-(azepan-1-yl)-2-oxoethyl]-5-[(2-bromo-5-ethoxy-4-prop-2-ynoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione Traditional Name: 3-[2-(azepan-1-yl)-2-keto-ethyl]-5-(2-bromo-5-ethoxy-4-propargyloxy-benzylidene)thiazolidine-2,4-quinone Formula: C23H25BrN2O5S MolecularWeight: 521.424

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25BrN2O5S/c1-3-11-31-19-14-17(24)16(12-18(19)30-4-2)13-20-22(28)26(23(29)32-20)15-21(27)25-9-7-5-6-8-10-25/h1,12-14H,4-11,15H2,2H3