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

Systemtic Name: 3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-5-[[3-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione Openeye Name: 3-[2-(azepan-1-yl)-2-oxo-ethyl]-5-[[3-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylene]thiazolidine-2,4-dione CAS Name: 3-[2-(1-azepanyl)-2-oxoethyl]-5-[[3-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylidene]thiazolidine-2,4-dione IUPAC Name: 3-[2-(azepan-1-yl)-2-oxoethyl]-5-[[3-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione Traditional Name: 3-[2-(azepan-1-yl)-2-keto-ethyl]-5-[3-ethoxy-4-(4-nitrobenzyl)oxy-benzylidene]thiazolidine-2,4-quinone Formula: C27H29N3O7S MolecularWeight: 539.60006

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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)OCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=CC(=C1)C=C2C(=O)N(C(=O)S2)CC(=O)N3CCCCCC3)OCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C27H29N3O7S/c1-2-36-23-15-20(9-12-22(23)37-18-19-7-10-21(11-8-19)30(34)35)16-24-26(32)29(27(33)38-24)17-25(31)28-13-5-3-4-6-14-28/h7-12,15-16H,2-6,13-14,17-18H2,1H3