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

Systemtic Name: 5-[(5-bromanyl-3-methoxy-2-prop-2-ynoxy-phenyl)methylidene]-3-(phenylmethyl)-1,3-thiazolidine-2,4-dione Openeye Name: 3-benzyl-5-[(5-bromo-3-methoxy-2-prop-2-ynoxy-phenyl)methylene]thiazolidine-2,4-dione CAS Name: 5-[(5-bromo-3-methoxy-2-prop-2-ynoxyphenyl)methylidene]-3-(phenylmethyl)thiazolidine-2,4-dione IUPAC Name: 3-benzyl-5-[(5-bromo-3-methoxy-2-prop-2-ynoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione Traditional Name: 3-benzyl-5-(5-bromo-3-methoxy-2-propargyloxy-benzylidene)thiazolidine-2,4-quinone Formula: C21H16BrNO4S MolecularWeight: 458.32504

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)Br)C=C2C(=O)N(C(=O)S2)CC3=CC=CC=C3)OCC#C

Isomeric SMILES

COC1=C(C(=CC(=C1)Br)C=C2C(=O)N(C(=O)S2)CC3=CC=CC=C3)OCC#C

InChI

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