(E)-3-[5-(4-ethoxy-4-oxidanylidene-butyl)-2,5-dihydrothiophen-2-yl]prop-2-enoic acid

Systemtic Name: (E)-3-[5-(4-ethoxy-4-oxidanylidene-butyl)-2,5-dihydrothiophen-2-yl]prop-2-enoic acid Openeye Name: (E)-3-[5-(4-ethoxy-4-oxo-butyl)-2,5-dihydrothiophen-2-yl]prop-2-enoic acid CAS Name: (E)-3-[5-(4-ethoxy-4-oxobutyl)-2,5-dihydrothiophen-2-yl]-2-propenoic acid IUPAC Name: (E)-3-[5-(4-ethoxy-4-oxobutyl)-2,5-dihydrothiophen-2-yl]prop-2-enoic acid Traditional Name: (E)-3-[5-(4-ethoxy-4-keto-butyl)-2,5-dihydrothiophen-2-yl]acrylic acid Formula: C13H18O4S MolecularWeight: 270.34462

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCC1C=CC(S1)C=CC(=O)O

Isomeric SMILES

CCOC(=O)CCCC1C=CC(S1)/C=C/C(=O)O

InChI

InChI=1S/C13H18O4S/c1-2-17-13(16)5-3-4-10-6-7-11(18-10)8-9-12(14)15/h6-11H,2-5H2,1H3,(H,14,15)/b9-8+