ethyl 4-fluoranyl-3-[[(E)-3-(2-oxidanylidene-1H-quinolin-3-yl)prop-2-enoyl]oxymethyl]-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl 4-fluoranyl-3-[[(E)-3-(2-oxidanylidene-1H-quinolin-3-yl)prop-2-enoyl]oxymethyl]-1-benzothiophene-2-carboxylate Openeye Name: ethyl 4-fluoro-3-[[(E)-3-(2-oxo-1H-quinolin-3-yl)prop-2-enoyl]oxymethyl]benzothiophene-2-carboxylate CAS Name: 4-fluoro-3-[[(E)-1-oxo-3-(2-oxo-1H-quinolin-3-yl)prop-2-enoxy]methyl]-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-fluoro-3-[[(E)-3-(2-oxo-1H-quinolin-3-yl)prop-2-enoyl]oxymethyl]-1-benzothiophene-2-carboxylate Traditional Name: 4-fluoro-3-[[(E)-3-(2-keto-1H-quinolin-3-yl)acryloyl]oxymethyl]benzothiophene-2-carboxylic acid ethyl ester Formula: C24H18FNO5S MolecularWeight: 451.466823

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)COC(=O)C=CC3=CC4=CC=CC=C4NC3=O

Isomeric SMILES

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)COC(=O)/C=C/C3=CC4=CC=CC=C4NC3=O

InChI

InChI=1S/C24H18FNO5S/c1-2-30-24(29)22-16(21-17(25)7-5-9-19(21)32-22)13-31-20(27)11-10-15-12-14-6-3-4-8-18(14)26-23(15)28/h3-12H,2,13H2,1H3,(H,26,28)/b11-10+