2-[5-[(E)-2-ethoxycarbonylbut-1-enyl]-2-methoxy-phenyl]-2-phenethylsulfanyl-ethanoic acid

Systemtic Name: 2-[5-[(E)-2-ethoxycarbonylbut-1-enyl]-2-methoxy-phenyl]-2-phenethylsulfanyl-ethanoic acid Openeye Name: 2-[5-[(E)-2-ethoxycarbonylbut-1-enyl]-2-methoxy-phenyl]-2-phenethylsulfanyl-acetic acid CAS Name: 2-[5-[(E)-2-ethoxycarbonylbut-1-enyl]-2-methoxyphenyl]-2-(phenethylthio)acetic acid IUPAC Name: 2-[5-[(E)-2-ethoxycarbonylbut-1-enyl]-2-methoxyphenyl]-2-phenethylsulfanylacetic acid Traditional Name: 2-[5-[(E)-2-carbethoxybut-1-enyl]-2-methoxy-phenyl]-2-(phenethylthio)acetic acid Formula: C24H28O5S MolecularWeight: 428.54112

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=CC1=CC(=C(C=C1)OC)C(C(=O)O)SCCC2=CC=CC=C2)C(=O)OCC

Isomeric SMILES

CC/C(=C\C1=CC(=C(C=C1)OC)C(C(=O)O)SCCC2=CC=CC=C2)/C(=O)OCC

InChI

InChI=1S/C24H28O5S/c1-4-19(24(27)29-5-2)15-18-11-12-21(28-3)20(16-18)22(23(25)26)30-14-13-17-9-7-6-8-10-17/h6-12,15-16,22H,4-5,13-14H2,1-3H3,(H,25,26)/b19-15+