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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1O)C)C=CC(=O)C2=CC(=C(C=C2)OC)CSCC(=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1O)C)/C=C/C(=O)C2=CC(=C(C=C2)OC)CSCC(=O)[O-]

InChI

InChI=1S/C21H22O5S/c1-13-8-15(9-14(2)21(13)25)4-6-18(22)16-5-7-19(26-3)17(10-16)11-27-12-20(23)24/h4-10,25H,11-12H2,1-3H3,(H,23,24)/p-1/b6-4+