5-[(3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)methylidene]-3-prop-2-ynyl-1,3-thiazolidine-2,4-dione

Systemtic Name: 5-[(3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)methylidene]-3-prop-2-ynyl-1,3-thiazolidine-2,4-dione Openeye Name: 5-[(4-benzyloxy-3-bromo-5-methoxy-phenyl)methylene]-3-prop-2-ynyl-thiazolidine-2,4-dione CAS Name: 5-[(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methylidene]-3-prop-2-ynylthiazolidine-2,4-dione IUPAC Name: 5-[(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methylidene]-3-prop-2-ynyl-1,3-thiazolidine-2,4-dione Traditional Name: 5-(4-benzoxy-3-bromo-5-methoxy-benzylidene)-3-propargyl-thiazolidine-2,4-quinone Formula: C21H16BrNO4S MolecularWeight: 458.32504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=C2C(=O)N(C(=O)S2)CC#C)Br)OCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C(=CC(=C1)C=C2C(=O)N(C(=O)S2)CC#C)Br)OCC3=CC=CC=C3

InChI

InChI=1S/C21H16BrNO4S/c1-3-9-23-20(24)18(28-21(23)25)12-15-10-16(22)19(17(11-15)26-2)27-13-14-7-5-4-6-8-14/h1,4-8,10-12H,9,13H2,2H3