3-[(E)-3-[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]prop-2-enoyl]-6-methyl-2-oxidanyl-pyran-4-one

Systemtic Name: 3-[(E)-3-[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]prop-2-enoyl]-6-methyl-2-oxidanyl-pyran-4-one Openeye Name: 3-[(E)-3-[3-ethoxy-4-(2-thienylmethoxy)phenyl]prop-2-enoyl]-2-hydroxy-6-methyl-pyran-4-one CAS Name: 3-[(E)-3-[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]-1-oxoprop-2-enyl]-2-hydroxy-6-methyl-4-pyranone IUPAC Name: 3-[(E)-3-[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]prop-2-enoyl]-2-hydroxy-6-methylpyran-4-one Traditional Name: 3-[(E)-3-[3-ethoxy-4-(2-thenyloxy)phenyl]acryloyl]-2-hydroxy-6-methyl-pyran-4-one Formula: C22H20O6S MolecularWeight: 412.4556

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=CC(=O)C2=C(OC(=CC2=O)C)O)OCC3=CC=CS3

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C/C(=O)C2=C(OC(=CC2=O)C)O)OCC3=CC=CS3

InChI

InChI=1S/C22H20O6S/c1-3-26-20-12-15(7-9-19(20)27-13-16-5-4-10-29-16)6-8-17(23)21-18(24)11-14(2)28-22(21)25/h4-12,25H,3,13H2,1-2H3/b8-6+