ethyl 5-chloranyl-4,6-dimethyl-3-(pentanoylamino)thieno[2,3-b]pyridine-2-carboxylate

Systemtic Name: ethyl 5-chloranyl-4,6-dimethyl-3-(pentanoylamino)thieno[2,3-b]pyridine-2-carboxylate Openeye Name: ethyl 5-chloro-4,6-dimethyl-3-(pentanoylamino)thieno[2,3-b]pyridine-2-carboxylate CAS Name: 5-chloro-4,6-dimethyl-3-(1-oxopentylamino)-2-thieno[2,3-b]pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-chloro-4,6-dimethyl-3-(pentanoylamino)thieno[2,3-b]pyridine-2-carboxylate Traditional Name: 5-chloro-4,6-dimethyl-3-(valerylamino)thieno[2,3-b]pyridine-2-carboxylic acid ethyl ester Formula: C17H21ClN2O3S MolecularWeight: 368.87824

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=C(SC2=NC(=C(C(=C12)C)Cl)C)C(=O)OCC

Isomeric SMILES

CCCCC(=O)NC1=C(SC2=NC(=C(C(=C12)C)Cl)C)C(=O)OCC

InChI

InChI=1S/C17H21ClN2O3S/c1-5-7-8-11(21)20-14-12-9(3)13(18)10(4)19-16(12)24-15(14)17(22)23-6-2/h5-8H2,1-4H3,(H,20,21)