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

Systemtic Name: 2-[[5-[(E)-3-(3-ethoxy-4-prop-2-ynoxy-phenyl)prop-2-enoyl]-2-methoxy-phenyl]methylsulfanyl]ethanoic acid Openeye Name: 2-[[5-[(E)-3-(3-ethoxy-4-prop-2-ynoxy-phenyl)prop-2-enoyl]-2-methoxy-phenyl]methylsulfanyl]acetic acid CAS Name: 2-[[5-[(E)-3-(3-ethoxy-4-prop-2-ynoxyphenyl)-1-oxoprop-2-enyl]-2-methoxyphenyl]methylthio]acetic acid IUPAC Name: 2-[[5-[(E)-3-(3-ethoxy-4-prop-2-ynoxyphenyl)prop-2-enoyl]-2-methoxyphenyl]methylsulfanyl]acetic acid Traditional Name: 2-[[5-[(E)-3-(3-ethoxy-4-propargyloxy-phenyl)acryloyl]-2-methoxy-benzyl]thio]acetic acid Formula: C24H24O6S MolecularWeight: 440.50876

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=CC(=O)C2=CC(=C(C=C2)OC)CSCC(=O)O)OCC#C

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C/C(=O)C2=CC(=C(C=C2)OC)CSCC(=O)O)OCC#C

InChI

InChI=1S/C24H24O6S/c1-4-12-30-22-10-7-17(13-23(22)29-5-2)6-9-20(25)18-8-11-21(28-3)19(14-18)15-31-16-24(26)27/h1,6-11,13-14H,5,12,15-16H2,2-3H3,(H,26,27)/b9-6+