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

Systemtic Name: ethyl 2-[[(E)-3-(2-chloranyl-6-fluoranyl-phenyl)prop-2-enoyl]amino]-1-benzothiophene-3-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C20H15ClFNO3S MolecularWeight: 403.854403

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H15ClFNO3S/c1-2-26-20(25)18-13-6-3-4-9-16(13)27-19(18)23-17(24)11-10-12-14(21)7-5-8-15(12)22/h3-11H,2H2,1H3,(H,23,24)/b11-10+