methyl 2-[[(E)-2-cyano-3-(4-fluorophenyl)prop-2-enoyl]amino]-5-phenyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[[(E)-2-cyano-3-(4-fluorophenyl)prop-2-enoyl]amino]-5-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[(E)-2-cyano-3-(4-fluorophenyl)prop-2-enoyl]amino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(E)-2-cyano-3-(4-fluorophenyl)-1-oxoprop-2-enyl]amino]-5-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(E)-2-cyano-3-(4-fluorophenyl)prop-2-enoyl]amino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[[(E)-2-cyano-3-(4-fluorophenyl)acryloyl]amino]-5-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C22H15FN2O3S MolecularWeight: 406.429503

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)C(=CC3=CC=C(C=C3)F)C#N

Isomeric SMILES

COC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)/C(=C/C3=CC=C(C=C3)F)/C#N

InChI

InChI=1S/C22H15FN2O3S/c1-28-22(27)18-12-19(15-5-3-2-4-6-15)29-21(18)25-20(26)16(13-24)11-14-7-9-17(23)10-8-14/h2-12H,1H3,(H,25,26)/b16-11+