tert-butyl 3-(3-chlorophenyl)-5-ethyl-4,6-dimethyl-thieno[2,3-b]pyridine-2-carboxylate

Systemtic Name: tert-butyl 3-(3-chlorophenyl)-5-ethyl-4,6-dimethyl-thieno[2,3-b]pyridine-2-carboxylate Openeye Name: tert-butyl 3-(3-chlorophenyl)-5-ethyl-4,6-dimethyl-thieno[2,3-b]pyridine-2-carboxylate CAS Name: 3-(3-chlorophenyl)-5-ethyl-4,6-dimethyl-2-thieno[2,3-b]pyridinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-(3-chlorophenyl)-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate Traditional Name: 3-(3-chlorophenyl)-5-ethyl-4,6-dimethyl-thieno[2,3-b]pyridine-2-carboxylic acid tert-butyl ester Formula: C22H24ClNO2S MolecularWeight: 401.94946

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=C2C(=C1C)C(=C(S2)C(=O)OC(C)(C)C)C3=CC(=CC=C3)Cl)C

Isomeric SMILES

CCC1=C(N=C2C(=C1C)C(=C(S2)C(=O)OC(C)(C)C)C3=CC(=CC=C3)Cl)C

InChI

InChI=1S/C22H24ClNO2S/c1-7-16-12(2)17-18(14-9-8-10-15(23)11-14)19(21(25)26-22(4,5)6)27-20(17)24-13(16)3/h8-11H,7H2,1-6H3