2-[[5-[(E)-3-(4-butoxyphenyl)prop-2-enoyl]-2-methoxy-phenyl]methylsulfanyl]ethanoic acid

Systemtic Name: 2-[[5-[(E)-3-(4-butoxyphenyl)prop-2-enoyl]-2-methoxy-phenyl]methylsulfanyl]ethanoic acid Openeye Name: 2-[[5-[(E)-3-(4-butoxyphenyl)prop-2-enoyl]-2-methoxy-phenyl]methylsulfanyl]acetic acid CAS Name: 2-[[5-[(E)-3-(4-butoxyphenyl)-1-oxoprop-2-enyl]-2-methoxyphenyl]methylthio]acetic acid IUPAC Name: 2-[[5-[(E)-3-(4-butoxyphenyl)prop-2-enoyl]-2-methoxyphenyl]methylsulfanyl]acetic acid Traditional Name: 2-[[5-[(E)-3-(4-butoxyphenyl)acryloyl]-2-methoxy-benzyl]thio]acetic acid Formula: C23H26O5S MolecularWeight: 414.51454

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C=CC(=O)C2=CC(=C(C=C2)OC)CSCC(=O)O

Isomeric SMILES

CCCCOC1=CC=C(C=C1)/C=C/C(=O)C2=CC(=C(C=C2)OC)CSCC(=O)O

InChI

InChI=1S/C23H26O5S/c1-3-4-13-28-20-9-5-17(6-10-20)7-11-21(24)18-8-12-22(27-2)19(14-18)15-29-16-23(25)26/h5-12,14H,3-4,13,15-16H2,1-2H3,(H,25,26)/b11-7+