(E)-3-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-1-thiophen-2-yl-prop-2-en-1-one

Systemtic Name: (E)-3-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-1-thiophen-2-yl-prop-2-en-1-one Openeye Name: (E)-3-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-1-(2-thienyl)prop-2-en-1-one CAS Name: (E)-3-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-1-thiophen-2-yl-2-propen-1-one IUPAC Name: (E)-3-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-1-thiophen-2-ylprop-2-en-1-one Traditional Name: (E)-3-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-1-(2-thienyl)prop-2-en-1-one Formula: C16H14O5S MolecularWeight: 318.34436

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C(=C1)C=CC(=O)C3=CC=CS3)OC)OCO2

Isomeric SMILES

COC1=C2C(=C(C(=C1)/C=C/C(=O)C3=CC=CS3)OC)OCO2

InChI

InChI=1S/C16H14O5S/c1-18-12-8-10(5-6-11(17)13-4-3-7-22-13)14(19-2)16-15(12)20-9-21-16/h3-8H,9H2,1-2H3/b6-5+