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

Systemtic Name: 3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-5-[(5-methoxy-2-nitro-4-phenylmethoxy-phenyl)methylidene]-1,3-thiazolidine-2,4-dione Openeye Name: 3-[2-(azepan-1-yl)-2-oxo-ethyl]-5-[(4-benzyloxy-5-methoxy-2-nitro-phenyl)methylene]thiazolidine-2,4-dione CAS Name: 3-[2-(1-azepanyl)-2-oxoethyl]-5-[(5-methoxy-2-nitro-4-phenylmethoxyphenyl)methylidene]thiazolidine-2,4-dione IUPAC Name: 3-[2-(azepan-1-yl)-2-oxoethyl]-5-[(5-methoxy-2-nitro-4-phenylmethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione Traditional Name: 3-[2-(azepan-1-yl)-2-keto-ethyl]-5-(4-benzoxy-5-methoxy-2-nitro-benzylidene)thiazolidine-2,4-quinone Formula: C26H27N3O7S MolecularWeight: 525.57348

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C=C2C(=O)N(C(=O)S2)CC(=O)N3CCCCCC3)[N+](=O)[O-])OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=C(C(=C1)C=C2C(=O)N(C(=O)S2)CC(=O)N3CCCCCC3)[N+](=O)[O-])OCC4=CC=CC=C4

InChI

InChI=1S/C26H27N3O7S/c1-35-21-13-19(20(29(33)34)15-22(21)36-17-18-9-5-4-6-10-18)14-23-25(31)28(26(32)37-23)16-24(30)27-11-7-2-3-8-12-27/h4-6,9-10,13-15H,2-3,7-8,11-12,16-17H2,1H3