5-[(E)-2-ethoxycarbonyl-5-(4-fluorophenyl)-3-oxidanylidene-pent-1-enyl]thiophene-2-carboxylic acid

Systemtic Name: 5-[(E)-2-ethoxycarbonyl-5-(4-fluorophenyl)-3-oxidanylidene-pent-1-enyl]thiophene-2-carboxylic acid Openeye Name: 5-[(E)-2-ethoxycarbonyl-5-(4-fluorophenyl)-3-oxo-pent-1-enyl]thiophene-2-carboxylic acid CAS Name: 5-[(E)-2-ethoxycarbonyl-5-(4-fluorophenyl)-3-oxopent-1-enyl]-2-thiophenecarboxylic acid IUPAC Name: 5-[(E)-2-ethoxycarbonyl-5-(4-fluorophenyl)-3-oxopent-1-enyl]thiophene-2-carboxylic acid Traditional Name: 5-[(E)-2-carbethoxy-5-(4-fluorophenyl)-3-keto-pent-1-enyl]-2-thenoic acid Formula: C19H17FO5S MolecularWeight: 376.398683

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1=CC=C(S1)C(=O)O)C(=O)CCC2=CC=C(C=C2)F

Isomeric SMILES

CCOC(=O)/C(=C/C1=CC=C(S1)C(=O)O)/C(=O)CCC2=CC=C(C=C2)F

InChI

InChI=1S/C19H17FO5S/c1-2-25-19(24)15(11-14-8-10-17(26-14)18(22)23)16(21)9-5-12-3-6-13(20)7-4-12/h3-4,6-8,10-11H,2,5,9H2,1H3,(H,22,23)/b15-11+