ethyl 4-fluoranyl-3-[3-[(4-oxidanylidene-4-thiophen-2-yl-butanoyl)amino]propanoyloxymethyl]-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl 4-fluoranyl-3-[3-[(4-oxidanylidene-4-thiophen-2-yl-butanoyl)amino]propanoyloxymethyl]-1-benzothiophene-2-carboxylate Openeye Name: ethyl 4-fluoro-3-[3-[[4-oxo-4-(2-thienyl)butanoyl]amino]propanoyloxymethyl]benzothiophene-2-carboxylate CAS Name: 3-[[3-[(1,4-dioxo-4-thiophen-2-ylbutyl)amino]-1-oxopropoxy]methyl]-4-fluoro-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-fluoro-3-[3-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]propanoyloxymethyl]-1-benzothiophene-2-carboxylate Traditional Name: 4-fluoro-3-[3-[[4-keto-4-(2-thienyl)butanoyl]amino]propanoyloxymethyl]benzothiophene-2-carboxylic acid ethyl ester Formula: C23H22FNO6S2 MolecularWeight: 491.552283

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)COC(=O)CCNC(=O)CCC(=O)C3=CC=CS3

Isomeric SMILES

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)COC(=O)CCNC(=O)CCC(=O)C3=CC=CS3

InChI

InChI=1S/C23H22FNO6S2/c1-2-30-23(29)22-14(21-15(24)5-3-6-18(21)33-22)13-31-20(28)10-11-25-19(27)9-8-16(26)17-7-4-12-32-17/h3-7,12H,2,8-11,13H2,1H3,(H,25,27)