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

Systemtic Name: 3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-5-[(3-ethoxy-5-nitro-2-oxidanyl-phenyl)methylidene]-1,3-thiazolidine-2,4-dione Openeye Name: 3-[2-(azepan-1-yl)-2-oxo-ethyl]-5-[(3-ethoxy-2-hydroxy-5-nitro-phenyl)methylene]thiazolidine-2,4-dione CAS Name: 3-[2-(1-azepanyl)-2-oxoethyl]-5-[(3-ethoxy-2-hydroxy-5-nitrophenyl)methylidene]thiazolidine-2,4-dione IUPAC Name: 3-[2-(azepan-1-yl)-2-oxoethyl]-5-[(3-ethoxy-2-hydroxy-5-nitrophenyl)methylidene]-1,3-thiazolidine-2,4-dione Traditional Name: 3-[2-(azepan-1-yl)-2-keto-ethyl]-5-(3-ethoxy-2-hydroxy-5-nitro-benzylidene)thiazolidine-2,4-quinone Formula: C20H23N3O7S MolecularWeight: 449.47752

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)[N+](=O)[O-])C=C2C(=O)N(C(=O)S2)CC(=O)N3CCCCCC3)O

Isomeric SMILES

CCOC1=C(C(=CC(=C1)[N+](=O)[O-])C=C2C(=O)N(C(=O)S2)CC(=O)N3CCCCCC3)O

InChI

InChI=1S/C20H23N3O7S/c1-2-30-15-11-14(23(28)29)9-13(18(15)25)10-16-19(26)22(20(27)31-16)12-17(24)21-7-5-3-4-6-8-21/h9-11,25H,2-8,12H2,1H3