2-[[2-methoxy-5-[(E)-3-(4-methoxy-3-methyl-phenyl)prop-2-enoyl]phenyl]methylsulfanyl]ethanoate

Systemtic Name: 2-[[2-methoxy-5-[(E)-3-(4-methoxy-3-methyl-phenyl)prop-2-enoyl]phenyl]methylsulfanyl]ethanoate Openeye Name: 2-[[2-methoxy-5-[(E)-3-(4-methoxy-3-methyl-phenyl)prop-2-enoyl]phenyl]methylsulfanyl]acetate CAS Name: 2-[[2-methoxy-5-[(E)-3-(4-methoxy-3-methylphenyl)-1-oxoprop-2-enyl]phenyl]methylthio]acetate IUPAC Name: 2-[[2-methoxy-5-[(E)-3-(4-methoxy-3-methylphenyl)prop-2-enoyl]phenyl]methylsulfanyl]acetate Traditional Name: 2-[[2-methoxy-5-[(E)-3-(4-methoxy-3-methyl-phenyl)acryloyl]benzyl]thio]acetate Formula: C21H21O5S- MolecularWeight: 385.45344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C=CC(=O)C2=CC(=C(C=C2)OC)CSCC(=O)[O-])OC

Isomeric SMILES

CC1=C(C=CC(=C1)/C=C/C(=O)C2=CC(=C(C=C2)OC)CSCC(=O)[O-])OC

InChI

InChI=1S/C21H22O5S/c1-14-10-15(5-8-19(14)25-2)4-7-18(22)16-6-9-20(26-3)17(11-16)12-27-13-21(23)24/h4-11H,12-13H2,1-3H3,(H,23,24)/p-1/b7-4+