butyl 2-[[(E)-3-(2-chloranyl-6-fluoranyl-phenyl)prop-2-enoyl]amino]-1-benzothiophene-3-carboxylate

Systemtic Name: butyl 2-[[(E)-3-(2-chloranyl-6-fluoranyl-phenyl)prop-2-enoyl]amino]-1-benzothiophene-3-carboxylate Openeye Name: butyl 2-[[(E)-3-(2-chloro-6-fluoro-phenyl)prop-2-enoyl]amino]benzothiophene-3-carboxylate CAS Name: 2-[[(E)-3-(2-chloro-6-fluorophenyl)-1-oxoprop-2-enyl]amino]-1-benzothiophene-3-carboxylic acid butyl ester IUPAC Name: butyl 2-[[(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]amino]-1-benzothiophene-3-carboxylate Traditional Name: 2-[[(E)-3-(2-chloro-6-fluoro-phenyl)acryloyl]amino]benzothiophene-3-carboxylic acid butyl ester Formula: C22H19ClFNO3S MolecularWeight: 431.907563

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=C(SC2=CC=CC=C21)NC(=O)C=CC3=C(C=CC=C3Cl)F

Isomeric SMILES

CCCCOC(=O)C1=C(SC2=CC=CC=C21)NC(=O)/C=C/C3=C(C=CC=C3Cl)F

InChI

InChI=1S/C22H19ClFNO3S/c1-2-3-13-28-22(27)20-15-7-4-5-10-18(15)29-21(20)25-19(26)12-11-14-16(23)8-6-9-17(14)24/h4-12H,2-3,13H2,1H3,(H,25,26)/b12-11+