3-pyridin-3-ylpropyl 6-(3,3-dimethyl-2-oxidanylidene-pentanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-5-carboxylate

Systemtic Name: 3-pyridin-3-ylpropyl 6-(3,3-dimethyl-2-oxidanylidene-pentanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-5-carboxylate Openeye Name: 3-(3-pyridyl)propyl 6-(3,3-dimethyl-2-oxo-pentanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-5-carboxylate CAS Name: 6-(3,3-dimethyl-1,2-dioxopentyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-5-carboxylic acid 3-(3-pyridinyl)propyl ester IUPAC Name: 3-pyridin-3-ylpropyl 6-(3,3-dimethyl-2-oxopentanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-5-carboxylate Traditional Name: 6-(2-keto-3,3-dimethyl-pentanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-5-carboxylic acid 3-(3-pyridyl)propyl ester Formula: C23H28N2O4S MolecularWeight: 428.54442

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)C(=O)N1CC2=C(CC1C(=O)OCCCC3=CN=CC=C3)C=CS2

Isomeric SMILES

CCC(C)(C)C(=O)C(=O)N1CC2=C(CC1C(=O)OCCCC3=CN=CC=C3)C=CS2

InChI

InChI=1S/C23H28N2O4S/c1-4-23(2,3)20(26)21(27)25-15-19-17(9-12-30-19)13-18(25)22(28)29-11-6-8-16-7-5-10-24-14-16/h5,7,9-10,12,14,18H,4,6,8,11,13,15H2,1-3H3