tert-butyl 3-(1,3-benzodioxol-5-yl)-5-ethyl-4,6-dimethyl-thieno[2,3-b]pyridine-2-carboxylate

Systemtic Name: tert-butyl 3-(1,3-benzodioxol-5-yl)-5-ethyl-4,6-dimethyl-thieno[2,3-b]pyridine-2-carboxylate Openeye Name: tert-butyl 3-(1,3-benzodioxol-5-yl)-5-ethyl-4,6-dimethyl-thieno[2,3-b]pyridine-2-carboxylate CAS Name: 3-(1,3-benzodioxol-5-yl)-5-ethyl-4,6-dimethyl-2-thieno[2,3-b]pyridinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-(1,3-benzodioxol-5-yl)-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate Traditional Name: 3-(1,3-benzodioxol-5-yl)-5-ethyl-4,6-dimethyl-thieno[2,3-b]pyridine-2-carboxylic acid tert-butyl ester Formula: C23H25NO4S MolecularWeight: 411.5139

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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=CC4=C(C=C3)OCO4)C

Isomeric SMILES

CCC1=C(N=C2C(=C1C)C(=C(S2)C(=O)OC(C)(C)C)C3=CC4=C(C=C3)OCO4)C

InChI

InChI=1S/C23H25NO4S/c1-7-15-12(2)18-19(14-8-9-16-17(10-14)27-11-26-16)20(22(25)28-23(4,5)6)29-21(18)24-13(15)3/h8-10H,7,11H2,1-6H3