2-[[5-[(E)-3-(2,5-dimethylphenyl)prop-2-enoyl]-2-methoxy-phenyl]methylsulfanyl]ethanoate

Systemtic Name: 2-[[5-[(E)-3-(2,5-dimethylphenyl)prop-2-enoyl]-2-methoxy-phenyl]methylsulfanyl]ethanoate Openeye Name: 2-[[5-[(E)-3-(2,5-dimethylphenyl)prop-2-enoyl]-2-methoxy-phenyl]methylsulfanyl]acetate CAS Name: 2-[[5-[(E)-3-(2,5-dimethylphenyl)-1-oxoprop-2-enyl]-2-methoxyphenyl]methylthio]acetate IUPAC Name: 2-[[5-[(E)-3-(2,5-dimethylphenyl)prop-2-enoyl]-2-methoxyphenyl]methylsulfanyl]acetate Traditional Name: 2-[[5-[(E)-3-(2,5-dimethylphenyl)acryloyl]-2-methoxy-benzyl]thio]acetate Formula: C21H21O4S- MolecularWeight: 369.45404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22O4S/c1-14-4-5-15(2)16(10-14)6-8-19(22)17-7-9-20(25-3)18(11-17)12-26-13-21(23)24/h4-11H,12-13H2,1-3H3,(H,23,24)/p-1/b8-6+