(2-butoxy-2-oxidanylidene-ethyl) 4,6-dimethyl-3-pyrrol-1-yl-thieno[2,3-b]pyridine-2-carboxylate

Systemtic Name: (2-butoxy-2-oxidanylidene-ethyl) 4,6-dimethyl-3-pyrrol-1-yl-thieno[2,3-b]pyridine-2-carboxylate Openeye Name: (2-butoxy-2-oxo-ethyl) 4,6-dimethyl-3-pyrrol-1-yl-thieno[2,3-b]pyridine-2-carboxylate CAS Name: 4,6-dimethyl-3-(1-pyrrolyl)-2-thieno[2,3-b]pyridinecarboxylic acid (2-butoxy-2-oxoethyl) ester IUPAC Name: (2-butoxy-2-oxoethyl) 4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxylate Traditional Name: 4,6-dimethyl-3-pyrrol-1-yl-thieno[2,3-b]pyridine-2-carboxylic acid (2-butoxy-2-keto-ethyl) ester Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)COC(=O)C1=C(C2=C(S1)N=C(C=C2C)C)N3C=CC=C3

Isomeric SMILES

CCCCOC(=O)COC(=O)C1=C(C2=C(S1)N=C(C=C2C)C)N3C=CC=C3

InChI

InChI=1S/C20H22N2O4S/c1-4-5-10-25-15(23)12-26-20(24)18-17(22-8-6-7-9-22)16-13(2)11-14(3)21-19(16)27-18/h6-9,11H,4-5,10,12H2,1-3H3