2-(1,3-benzodioxol-5-yl)-4-phenyl-1-thiophen-3-yl-butane-1,4-dione

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-4-phenyl-1-thiophen-3-yl-butane-1,4-dione Openeye Name: 2-(1,3-benzodioxol-5-yl)-4-phenyl-1-(3-thienyl)butane-1,4-dione CAS Name: 2-(1,3-benzodioxol-5-yl)-4-phenyl-1-(3-thiophenyl)butane-1,4-dione IUPAC Name: 2-(1,3-benzodioxol-5-yl)-4-phenyl-1-thiophen-3-ylbutane-1,4-dione Traditional Name: 2-(1,3-benzodioxol-5-yl)-4-phenyl-1-(3-thienyl)butane-1,4-dione Formula: C21H16O4S MolecularWeight: 364.41434

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(CC(=O)C3=CC=CC=C3)C(=O)C4=CSC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(CC(=O)C3=CC=CC=C3)C(=O)C4=CSC=C4

InChI

InChI=1S/C21H16O4S/c22-18(14-4-2-1-3-5-14)11-17(21(23)16-8-9-26-12-16)15-6-7-19-20(10-15)25-13-24-19/h1-10,12,17H,11,13H2