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

Systemtic Name: tert-butyl 3-(3-cyanophenyl)-5-ethyl-4,6-dimethyl-thieno[2,3-b]pyridine-2-carboxylate Openeye Name: tert-butyl 3-(3-cyanophenyl)-5-ethyl-4,6-dimethyl-thieno[2,3-b]pyridine-2-carboxylate CAS Name: 3-(3-cyanophenyl)-5-ethyl-4,6-dimethyl-2-thieno[2,3-b]pyridinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-(3-cyanophenyl)-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate Traditional Name: 3-(3-cyanophenyl)-5-ethyl-4,6-dimethyl-thieno[2,3-b]pyridine-2-carboxylic acid tert-butyl ester Formula: C23H24N2O2S MolecularWeight: 392.51386

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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)C#N)C

Isomeric SMILES

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

InChI

InChI=1S/C23H24N2O2S/c1-7-17-13(2)18-19(16-10-8-9-15(11-16)12-24)20(22(26)27-23(4,5)6)28-21(18)25-14(17)3/h8-11H,7H2,1-6H3