3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-5-[(3-ethoxy-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-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-4-prop-2-ynoxy-phenyl)methylene]thiazolidine-2,4-dione CAS Name: 3-[2-(1-azepanyl)-2-oxoethyl]-5-[(3-ethoxy-4-prop-2-ynoxyphenyl)methylidene]thiazolidine-2,4-dione IUPAC Name: 3-[2-(azepan-1-yl)-2-oxoethyl]-5-[(3-ethoxy-4-prop-2-ynoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione Traditional Name: 3-[2-(azepan-1-yl)-2-keto-ethyl]-5-(3-ethoxy-4-propargyloxy-benzylidene)thiazolidine-2,4-quinone Formula: C23H26N2O5S MolecularWeight: 442.52794

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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)OCC#C

Isomeric SMILES

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

InChI

InChI=1S/C23H26N2O5S/c1-3-13-30-18-10-9-17(14-19(18)29-4-2)15-20-22(27)25(23(28)31-20)16-21(26)24-11-7-5-6-8-12-24/h1,9-10,14-15H,4-8,11-13,16H2,2H3