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

Systemtic Name: 3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-5-[(3-ethoxy-5-prop-2-enyl-4-prop-2-ynoxy-phenyl)methylidene]-1,3-thiazolidine-2,4-dione Openeye Name: 5-[(3-allyl-5-ethoxy-4-prop-2-ynoxy-phenyl)methylene]-3-[2-(azepan-1-yl)-2-oxo-ethyl]thiazolidine-2,4-dione CAS Name: 3-[2-(1-azepanyl)-2-oxoethyl]-5-[(3-ethoxy-5-prop-2-enyl-4-prop-2-ynoxyphenyl)methylidene]thiazolidine-2,4-dione IUPAC Name: 3-[2-(azepan-1-yl)-2-oxoethyl]-5-[(3-ethoxy-5-prop-2-enyl-4-prop-2-ynoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione Traditional Name: 5-(3-allyl-5-ethoxy-4-propargyloxy-benzylidene)-3-[2-(azepan-1-yl)-2-keto-ethyl]thiazolidine-2,4-quinone Formula: C26H30N2O5S MolecularWeight: 482.5918

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC#C)CC=C)C=C2C(=O)N(C(=O)S2)CC(=O)N3CCCCCC3

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC#C)CC=C)C=C2C(=O)N(C(=O)S2)CC(=O)N3CCCCCC3

InChI

InChI=1S/C26H30N2O5S/c1-4-11-20-15-19(16-21(32-6-3)24(20)33-14-5-2)17-22-25(30)28(26(31)34-22)18-23(29)27-12-9-7-8-10-13-27/h2,4,15-17H,1,6-14,18H2,3H3