ethyl 2-[3-(3-chlorophenyl)prop-2-enoylamino]-4-(4-fluorophenyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[3-(3-chlorophenyl)prop-2-enoylamino]-4-(4-fluorophenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[3-(3-chlorophenyl)prop-2-enoylamino]-4-(4-fluorophenyl)thiophene-3-carboxylate CAS Name: 2-[[3-(3-chlorophenyl)-1-oxoprop-2-enyl]amino]-4-(4-fluorophenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-(3-chlorophenyl)prop-2-enoylamino]-4-(4-fluorophenyl)thiophene-3-carboxylate Traditional Name: 2-[[3-(3-chlorophenyl)acryloyl]amino]-4-(4-fluorophenyl)thiophene-3-carboxylic acid ethyl ester Formula: C22H17ClFNO3S MolecularWeight: 429.891683

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)F)NC(=O)C=CC3=CC(=CC=C3)Cl

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)F)NC(=O)C=CC3=CC(=CC=C3)Cl

InChI

InChI=1S/C22H17ClFNO3S/c1-2-28-22(27)20-18(15-7-9-17(24)10-8-15)13-29-21(20)25-19(26)11-6-14-4-3-5-16(23)12-14/h3-13H,2H2,1H3,(H,25,26)