1-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxidanyl-3-[(E)-3-phenylprop-2-enoyl]-2-thiophen-2-yl-2H-pyrrol-5-one

Systemtic Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxidanyl-3-[(E)-3-phenylprop-2-enoyl]-2-thiophen-2-yl-2H-pyrrol-5-one Openeye Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-4-hydroxy-3-[(E)-3-phenylprop-2-enoyl]-2-(2-thienyl)-2H-pyrrol-5-one CAS Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-4-hydroxy-3-[(E)-1-oxo-3-phenylprop-2-enyl]-2-thiophen-2-yl-2H-pyrrol-5-one IUPAC Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-4-hydroxy-3-[(E)-3-phenylprop-2-enoyl]-2-thiophen-2-yl-2H-pyrrol-5-one Traditional Name: 1-homoveratryl-3-hydroxy-4-[(E)-3-phenylacryloyl]-5-(2-thienyl)-3-pyrrolin-2-one Formula: C27H25NO5S MolecularWeight: 475.5561

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN2C(C(=C(C2=O)O)C(=O)C=CC3=CC=CC=C3)C4=CC=CS4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN2C(C(=C(C2=O)O)C(=O)/C=C/C3=CC=CC=C3)C4=CC=CS4)OC

InChI

InChI=1S/C27H25NO5S/c1-32-21-13-11-19(17-22(21)33-2)14-15-28-25(23-9-6-16-34-23)24(26(30)27(28)31)20(29)12-10-18-7-4-3-5-8-18/h3-13,16-17,25,30H,14-15H2,1-2H3/b12-10+