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

Systemtic Name: 3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-5-[(3-methoxy-4-phenylmethoxy-5-prop-2-enyl-phenyl)methylidene]-1,3-thiazolidine-2,4-dione Openeye Name: 5-[(3-allyl-4-benzyloxy-5-methoxy-phenyl)methylene]-3-[2-(azepan-1-yl)-2-oxo-ethyl]thiazolidine-2,4-dione CAS Name: 3-[2-(1-azepanyl)-2-oxoethyl]-5-[(3-methoxy-4-phenylmethoxy-5-prop-2-enylphenyl)methylidene]thiazolidine-2,4-dione IUPAC Name: 3-[2-(azepan-1-yl)-2-oxoethyl]-5-[(3-methoxy-4-phenylmethoxy-5-prop-2-enylphenyl)methylidene]-1,3-thiazolidine-2,4-dione Traditional Name: 5-(3-allyl-4-benzoxy-5-methoxy-benzylidene)-3-[2-(azepan-1-yl)-2-keto-ethyl]thiazolidine-2,4-quinone Formula: C29H32N2O5S MolecularWeight: 520.63978

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OCC2=CC=CC=C2)CC=C)C=C3C(=O)N(C(=O)S3)CC(=O)N4CCCCCC4

Isomeric SMILES

COC1=CC(=CC(=C1OCC2=CC=CC=C2)CC=C)C=C3C(=O)N(C(=O)S3)CC(=O)N4CCCCCC4

InChI

InChI=1S/C29H32N2O5S/c1-3-11-23-16-22(17-24(35-2)27(23)36-20-21-12-7-6-8-13-21)18-25-28(33)31(29(34)37-25)19-26(32)30-14-9-4-5-10-15-30/h3,6-8,12-13,16-18H,1,4-5,9-11,14-15,19-20H2,2H3