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

Systemtic Name: 3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-5-[[4-[(3,4-dichlorophenyl)methoxy]-3-ethoxy-5-prop-2-enyl-phenyl]methylidene]-1,3-thiazolidine-2,4-dione Openeye Name: 5-[[3-allyl-4-[(3,4-dichlorophenyl)methoxy]-5-ethoxy-phenyl]methylene]-3-[2-(azepan-1-yl)-2-oxo-ethyl]thiazolidine-2,4-dione CAS Name: 3-[2-(1-azepanyl)-2-oxoethyl]-5-[[4-[(3,4-dichlorophenyl)methoxy]-3-ethoxy-5-prop-2-enylphenyl]methylidene]thiazolidine-2,4-dione IUPAC Name: 3-[2-(azepan-1-yl)-2-oxoethyl]-5-[[4-[(3,4-dichlorophenyl)methoxy]-3-ethoxy-5-prop-2-enylphenyl]methylidene]-1,3-thiazolidine-2,4-dione Traditional Name: 5-[3-allyl-4-(3,4-dichlorobenzyl)oxy-5-ethoxy-benzylidene]-3-[2-(azepan-1-yl)-2-keto-ethyl]thiazolidine-2,4-quinone Formula: C30H32Cl2N2O5S MolecularWeight: 603.55648

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC2=CC(=C(C=C2)Cl)Cl)CC=C)C=C3C(=O)N(C(=O)S3)CC(=O)N4CCCCCC4

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC2=CC(=C(C=C2)Cl)Cl)CC=C)C=C3C(=O)N(C(=O)S3)CC(=O)N4CCCCCC4

InChI

InChI=1S/C30H32Cl2N2O5S/c1-3-9-22-14-21(16-25(38-4-2)28(22)39-19-20-10-11-23(31)24(32)15-20)17-26-29(36)34(30(37)40-26)18-27(35)33-12-7-5-6-8-13-33/h3,10-11,14-17H,1,4-9,12-13,18-19H2,2H3