(E)-3-(4-ethylsulfanyl-1-benzofuran-5-yl)prop-2-enoic acid

Systemtic Name: (E)-3-(4-ethylsulfanyl-1-benzofuran-5-yl)prop-2-enoic acid Openeye Name: (E)-3-(4-ethylsulfanylbenzofuran-5-yl)prop-2-enoic acid CAS Name: (E)-3-[4-(ethylthio)-5-benzofuranyl]-2-propenoic acid IUPAC Name: (E)-3-(4-ethylsulfanyl-1-benzofuran-5-yl)prop-2-enoic acid Traditional Name: (E)-3-[4-(ethylthio)benzofuran-5-yl]acrylic acid Formula: C13H12O3S MolecularWeight: 248.29758

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(C=CC2=C1C=CO2)C=CC(=O)O

Isomeric SMILES

CCSC1=C(C=CC2=C1C=CO2)/C=C/C(=O)O

InChI

InChI=1S/C13H12O3S/c1-2-17-13-9(4-6-12(14)15)3-5-11-10(13)7-8-16-11/h3-8H,2H2,1H3,(H,14,15)/b6-4+