ethyl (E)-3-[4-[2-(4-ethanoyl-2-fluoranyl-phenyl)sulfanylethanoylamino]phenyl]prop-2-enoate

Systemtic Name: ethyl (E)-3-[4-[2-(4-ethanoyl-2-fluoranyl-phenyl)sulfanylethanoylamino]phenyl]prop-2-enoate Openeye Name: ethyl (E)-3-[4-[[2-(4-acetyl-2-fluoro-phenyl)sulfanylacetyl]amino]phenyl]prop-2-enoate CAS Name: (E)-3-[4-[[2-[(4-acetyl-2-fluorophenyl)thio]-1-oxoethyl]amino]phenyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[4-[[2-(4-acetyl-2-fluorophenyl)sulfanylacetyl]amino]phenyl]prop-2-enoate Traditional Name: (E)-3-[4-[[2-[(4-acetyl-2-fluoro-phenyl)thio]acetyl]amino]phenyl]acrylic acid ethyl ester Formula: C21H20FNO4S MolecularWeight: 401.451203

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC1=CC=C(C=C1)NC(=O)CSC2=C(C=C(C=C2)C(=O)C)F

Isomeric SMILES

CCOC(=O)/C=C/C1=CC=C(C=C1)NC(=O)CSC2=C(C=C(C=C2)C(=O)C)F

InChI

InChI=1S/C21H20FNO4S/c1-3-27-21(26)11-6-15-4-8-17(9-5-15)23-20(25)13-28-19-10-7-16(14(2)24)12-18(19)22/h4-12H,3,13H2,1-2H3,(H,23,25)/b11-6+