ethyl 2-[[2-cyano-3-(4-dimethylaminophenyl)prop-2-enoyl]amino]-4-(4-fluorophenyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[2-cyano-3-(4-dimethylaminophenyl)prop-2-enoyl]amino]-4-(4-fluorophenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-cyano-3-(4-dimethylaminophenyl)prop-2-enoyl]amino]-4-(4-fluorophenyl)thiophene-3-carboxylate CAS Name: 2-[[2-cyano-3-(4-dimethylaminophenyl)-1-oxoprop-2-enyl]amino]-4-(4-fluorophenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-cyano-3-(4-dimethylaminophenyl)prop-2-enoyl]amino]-4-(4-fluorophenyl)thiophene-3-carboxylate Traditional Name: 2-[[2-cyano-3-(4-dimethylaminophenyl)acryloyl]amino]-4-(4-fluorophenyl)thiophene-3-carboxylic acid ethyl ester Formula: C25H22FN3O3S MolecularWeight: 463.523883

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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=C(C=C3)N(C)C)C#N

Isomeric SMILES

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

InChI

InChI=1S/C25H22FN3O3S/c1-4-32-25(31)22-21(17-7-9-19(26)10-8-17)15-33-24(22)28-23(30)18(14-27)13-16-5-11-20(12-6-16)29(2)3/h5-13,15H,4H2,1-3H3,(H,28,30)