[2-ethyl-2-methyl-5-oxidanylidene-4-(2,4,5-trimethylphenyl)thiophen-3-yl] 6-chloranylpyridine-3-carboxylate

Systemtic Name: [2-ethyl-2-methyl-5-oxidanylidene-4-(2,4,5-trimethylphenyl)thiophen-3-yl] 6-chloranylpyridine-3-carboxylate Openeye Name: [2-ethyl-2-methyl-5-oxo-4-(2,4,5-trimethylphenyl)-3-thienyl] 6-chloropyridine-3-carboxylate CAS Name: 6-chloro-3-pyridinecarboxylic acid [2-ethyl-2-methyl-5-oxo-4-(2,4,5-trimethylphenyl)-3-thiophenyl] ester IUPAC Name: [2-ethyl-2-methyl-5-oxo-4-(2,4,5-trimethylphenyl)thiophen-3-yl] 6-chloropyridine-3-carboxylate Traditional Name: 6-chloronicotinic acid [2-ethyl-5-keto-2-methyl-4-(2,4,5-trimethylphenyl)-3-thienyl] ester Formula: C22H22ClNO3S MolecularWeight: 415.93298

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C(=C(C(=O)S1)C2=CC(=C(C=C2C)C)C)OC(=O)C3=CN=C(C=C3)Cl)C

Isomeric SMILES

CCC1(C(=C(C(=O)S1)C2=CC(=C(C=C2C)C)C)OC(=O)C3=CN=C(C=C3)Cl)C

InChI

InChI=1S/C22H22ClNO3S/c1-6-22(5)19(27-20(25)15-7-8-17(23)24-11-15)18(21(26)28-22)16-10-13(3)12(2)9-14(16)4/h7-11H,6H2,1-5H3