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

Systemtic Name: 3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-5-[[3-chloranyl-4-[(3,4-dichlorophenyl)methoxy]-5-ethoxy-phenyl]methylidene]-1,3-thiazolidine-2,4-dione Openeye Name: 3-[2-(azepan-1-yl)-2-oxo-ethyl]-5-[[3-chloro-4-[(3,4-dichlorophenyl)methoxy]-5-ethoxy-phenyl]methylene]thiazolidine-2,4-dione CAS Name: 3-[2-(1-azepanyl)-2-oxoethyl]-5-[[3-chloro-4-[(3,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methylidene]thiazolidine-2,4-dione IUPAC Name: 3-[2-(azepan-1-yl)-2-oxoethyl]-5-[[3-chloro-4-[(3,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione Traditional Name: 3-[2-(azepan-1-yl)-2-keto-ethyl]-5-[3-chloro-4-(3,4-dichlorobenzyl)oxy-5-ethoxy-benzylidene]thiazolidine-2,4-quinone Formula: C27H27Cl3N2O5S MolecularWeight: 597.93768

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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)Cl)OCC4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C=C2C(=O)N(C(=O)S2)CC(=O)N3CCCCCC3)Cl)OCC4=CC(=C(C=C4)Cl)Cl

InChI

InChI=1S/C27H27Cl3N2O5S/c1-2-36-22-13-18(12-21(30)25(22)37-16-17-7-8-19(28)20(29)11-17)14-23-26(34)32(27(35)38-23)15-24(33)31-9-5-3-4-6-10-31/h7-8,11-14H,2-6,9-10,15-16H2,1H3