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

Systemtic Name: 5-[(3-bromanyl-5-methoxy-4-prop-2-ynoxy-phenyl)methylidene]-3-butyl-1,3-thiazolidine-2,4-dione Openeye Name: 5-[(3-bromo-5-methoxy-4-prop-2-ynoxy-phenyl)methylene]-3-butyl-thiazolidine-2,4-dione CAS Name: 5-[(3-bromo-5-methoxy-4-prop-2-ynoxyphenyl)methylidene]-3-butylthiazolidine-2,4-dione IUPAC Name: 5-[(3-bromo-5-methoxy-4-prop-2-ynoxyphenyl)methylidene]-3-butyl-1,3-thiazolidine-2,4-dione Traditional Name: 5-(3-bromo-5-methoxy-4-propargyloxy-benzylidene)-3-butyl-thiazolidine-2,4-quinone Formula: C18H18BrNO4S MolecularWeight: 424.30882

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C(=CC2=CC(=C(C(=C2)Br)OCC#C)OC)SC1=O

Isomeric SMILES

CCCCN1C(=O)C(=CC2=CC(=C(C(=C2)Br)OCC#C)OC)SC1=O

InChI

InChI=1S/C18H18BrNO4S/c1-4-6-7-20-17(21)15(25-18(20)22)11-12-9-13(19)16(24-8-5-2)14(10-12)23-3/h2,9-11H,4,6-8H2,1,3H3