ethyl (E)-2-cyano-3-[4-[(4-fluoranyl-1-benzothiophen-2-yl)carbonylamino]phenyl]prop-2-enoate

Systemtic Name: ethyl (E)-2-cyano-3-[4-[(4-fluoranyl-1-benzothiophen-2-yl)carbonylamino]phenyl]prop-2-enoate Openeye Name: ethyl (E)-2-cyano-3-[4-[(4-fluorobenzothiophene-2-carbonyl)amino]phenyl]prop-2-enoate CAS Name: (E)-2-cyano-3-[4-[[(4-fluoro-1-benzothiophen-2-yl)-oxomethyl]amino]phenyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-2-cyano-3-[4-[(4-fluoro-1-benzothiophene-2-carbonyl)amino]phenyl]prop-2-enoate Traditional Name: (E)-2-cyano-3-[4-[(4-fluorobenzothiophene-2-carbonyl)amino]phenyl]acrylic acid ethyl ester Formula: C21H15FN2O3S MolecularWeight: 394.418803

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1=CC=C(C=C1)NC(=O)C2=CC3=C(C=CC=C3S2)F)C#N

Isomeric SMILES

CCOC(=O)/C(=C/C1=CC=C(C=C1)NC(=O)C2=CC3=C(C=CC=C3S2)F)/C#N

InChI

InChI=1S/C21H15FN2O3S/c1-2-27-21(26)14(12-23)10-13-6-8-15(9-7-13)24-20(25)19-11-16-17(22)4-3-5-18(16)28-19/h3-11H,2H2,1H3,(H,24,25)/b14-10+