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

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-4-thiophen-2-yl-butane-1,4-dione Openeye Name: 1-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-4-(2-thienyl)butane-1,4-dione CAS Name: 1-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-4-thiophen-2-ylbutane-1,4-dione IUPAC Name: 1-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-4-thiophen-2-ylbutane-1,4-dione Traditional Name: 1-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-4-(2-thienyl)butane-1,4-dione Formula: C22H18O5S MolecularWeight: 394.44032

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CC(=O)C2=CC=CS2)C(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=CC=C(C=C1)C(CC(=O)C2=CC=CS2)C(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H18O5S/c1-25-16-7-4-14(5-8-16)17(12-18(23)21-3-2-10-28-21)22(24)15-6-9-19-20(11-15)27-13-26-19/h2-11,17H,12-13H2,1H3