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

Systemtic Name: 3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-5-[(4-ethoxy-3-methoxy-phenyl)methylidene]-1,3-thiazolidine-2,4-dione Openeye Name: 3-[2-(azepan-1-yl)-2-oxo-ethyl]-5-[(4-ethoxy-3-methoxy-phenyl)methylene]thiazolidine-2,4-dione CAS Name: 3-[2-(1-azepanyl)-2-oxoethyl]-5-[(4-ethoxy-3-methoxyphenyl)methylidene]thiazolidine-2,4-dione IUPAC Name: 3-[2-(azepan-1-yl)-2-oxoethyl]-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione Traditional Name: 3-[2-(azepan-1-yl)-2-keto-ethyl]-5-(4-ethoxy-3-methoxy-benzylidene)thiazolidine-2,4-quinone Formula: C21H26N2O5S MolecularWeight: 418.50654

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O5S/c1-3-28-16-9-8-15(12-17(16)27-2)13-18-20(25)23(21(26)29-18)14-19(24)22-10-6-4-5-7-11-22/h8-9,12-13H,3-7,10-11,14H2,1-2H3