ethyl 2-[[3-[5-chloranyl-1-(4-fluorophenyl)-3-methyl-pyrazol-4-yl]-2-cyano-prop-2-enoyl]amino]-4-(4-methylphenyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[3-[5-chloranyl-1-(4-fluorophenyl)-3-methyl-pyrazol-4-yl]-2-cyano-prop-2-enoyl]amino]-4-(4-methylphenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[[3-[5-chloro-1-(4-fluorophenyl)-3-methyl-pyrazol-4-yl]-2-cyano-prop-2-enoyl]amino]-4-(p-tolyl)thiophene-3-carboxylate CAS Name: 2-[[3-[5-chloro-1-(4-fluorophenyl)-3-methyl-4-pyrazolyl]-2-cyano-1-oxoprop-2-enyl]amino]-4-(4-methylphenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[3-[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-2-cyanoprop-2-enoyl]amino]-4-(4-methylphenyl)thiophene-3-carboxylate Traditional Name: 2-[[3-[5-chloro-1-(4-fluorophenyl)-3-methyl-pyrazol-4-yl]-2-cyano-acryloyl]amino]-4-(p-tolyl)thiophene-3-carboxylic acid ethyl ester Formula: C28H22ClFN4O3S MolecularWeight: 549.015683

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C)NC(=O)C(=CC3=C(N(N=C3C)C4=CC=C(C=C4)F)Cl)C#N

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C)NC(=O)C(=CC3=C(N(N=C3C)C4=CC=C(C=C4)F)Cl)C#N

InChI

InChI=1S/C28H22ClFN4O3S/c1-4-37-28(36)24-23(18-7-5-16(2)6-8-18)15-38-27(24)32-26(35)19(14-31)13-22-17(3)33-34(25(22)29)21-11-9-20(30)10-12-21/h5-13,15H,4H2,1-3H3,(H,32,35)