O2-ethyl O4-propan-2-yl 5-[[3-(4-fluorophenyl)-1H-pyrazol-5-yl]carbonylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: O2-ethyl O4-propan-2-yl 5-[[3-(4-fluorophenyl)-1H-pyrazol-5-yl]carbonylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: O2-ethyl O4-isopropyl 5-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-oxomethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid O2-ethyl ester O4-propan-2-yl ester IUPAC Name: 2-O-ethyl 4-O-propan-2-yl 5-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid O2-ethyl ester O4-isopropyl ester Formula: C22H22FN3O5S MolecularWeight: 459.490583

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=CC(=NN2)C3=CC=C(C=C3)F)C(=O)OC(C)C)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=CC(=NN2)C3=CC=C(C=C3)F)C(=O)OC(C)C)C

InChI

InChI=1S/C22H22FN3O5S/c1-5-30-22(29)18-12(4)17(21(28)31-11(2)3)20(32-18)24-19(27)16-10-15(25-26-16)13-6-8-14(23)9-7-13/h6-11H,5H2,1-4H3,(H,24,27)(H,25,26)