(E)-1-(1,3-benzodioxol-5-yl)-3-(2-methoxy-5-thiophen-2-yl-phenyl)prop-2-en-1-one

Systemtic Name: (E)-1-(1,3-benzodioxol-5-yl)-3-(2-methoxy-5-thiophen-2-yl-phenyl)prop-2-en-1-one Openeye Name: (E)-1-(1,3-benzodioxol-5-yl)-3-[2-methoxy-5-(2-thienyl)phenyl]prop-2-en-1-one CAS Name: (E)-1-(1,3-benzodioxol-5-yl)-3-(2-methoxy-5-thiophen-2-ylphenyl)-2-propen-1-one IUPAC Name: (E)-1-(1,3-benzodioxol-5-yl)-3-(2-methoxy-5-thiophen-2-ylphenyl)prop-2-en-1-one Traditional Name: (E)-1-(1,3-benzodioxol-5-yl)-3-[2-methoxy-5-(2-thienyl)phenyl]prop-2-en-1-one Formula: C21H16O4S MolecularWeight: 364.41434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16O4S/c1-23-18-8-6-16(21-3-2-10-26-21)11-15(18)4-7-17(22)14-5-9-19-20(12-14)25-13-24-19/h2-12H,13H2,1H3/b7-4+