(4-oxidanylidene-4-thiophen-2-yl-butyl) (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate

Systemtic Name: (4-oxidanylidene-4-thiophen-2-yl-butyl) (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate Openeye Name: [4-oxo-4-(2-thienyl)butyl] (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate CAS Name: (E)-3-(3,4,5-trimethoxyphenyl)-2-propenoic acid (4-oxo-4-thiophen-2-ylbutyl) ester IUPAC Name: (4-oxo-4-thiophen-2-ylbutyl) (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(3,4,5-trimethoxyphenyl)acrylic acid [4-keto-4-(2-thienyl)butyl] ester Formula: C20H22O6S MolecularWeight: 390.45008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C=CC(=O)OCCCC(=O)C2=CC=CS2

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)OCCCC(=O)C2=CC=CS2

InChI

InChI=1S/C20H22O6S/c1-23-16-12-14(13-17(24-2)20(16)25-3)8-9-19(22)26-10-4-6-15(21)18-7-5-11-27-18/h5,7-9,11-13H,4,6,10H2,1-3H3/b9-8+