ethyl 4-butoxy-6-(2,2-dimethylpropyl)-7-oxidanylidene-thieno[2,3-c]pyridine-5-carboxylate

Systemtic Name: ethyl 4-butoxy-6-(2,2-dimethylpropyl)-7-oxidanylidene-thieno[2,3-c]pyridine-5-carboxylate Openeye Name: ethyl 4-butoxy-6-(2,2-dimethylpropyl)-7-oxo-thieno[2,3-c]pyridine-5-carboxylate CAS Name: 4-butoxy-6-(2,2-dimethylpropyl)-7-oxo-5-thieno[2,3-c]pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-butoxy-6-(2,2-dimethylpropyl)-7-oxothieno[2,3-c]pyridine-5-carboxylate Traditional Name: 4-butoxy-7-keto-6-neopentyl-thieno[2,3-c]pyridine-5-carboxylic acid ethyl ester Formula: C19H27NO4S MolecularWeight: 365.48698

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(N(C(=O)C2=C1C=CS2)CC(C)(C)C)C(=O)OCC

Isomeric SMILES

CCCCOC1=C(N(C(=O)C2=C1C=CS2)CC(C)(C)C)C(=O)OCC

InChI

InChI=1S/C19H27NO4S/c1-6-8-10-24-15-13-9-11-25-16(13)17(21)20(12-19(3,4)5)14(15)18(22)23-7-2/h9,11H,6-8,10,12H2,1-5H3