butyl 4,6-dimethyl-3-pyrrol-1-yl-thieno[2,3-b]pyridine-2-carboxylate

Systemtic Name: butyl 4,6-dimethyl-3-pyrrol-1-yl-thieno[2,3-b]pyridine-2-carboxylate Openeye Name: butyl 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 butyl ester IUPAC Name: butyl 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 butyl ester Formula: C18H20N2O2S MolecularWeight: 328.4286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O2S/c1-4-5-10-22-18(21)16-15(20-8-6-7-9-20)14-12(2)11-13(3)19-17(14)23-16/h6-9,11H,4-5,10H2,1-3H3