methyl 1-ethyl-3-(oxolan-3-ylcarbonylamino)-5-(1,3-thiazol-2-ylmethylamino)pyrrolo[2,3-b]pyridine-2-carboxylate

Systemtic Name: methyl 1-ethyl-3-(oxolan-3-ylcarbonylamino)-5-(1,3-thiazol-2-ylmethylamino)pyrrolo[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 1-ethyl-3-(tetrahydrofuran-3-carbonylamino)-5-(thiazol-2-ylmethylamino)pyrrolo[2,3-b]pyridine-2-carboxylate CAS Name: 1-ethyl-3-[[oxo(3-oxolanyl)methyl]amino]-5-(2-thiazolylmethylamino)-2-pyrrolo[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 1-ethyl-3-(oxolane-3-carbonylamino)-5-(1,3-thiazol-2-ylmethylamino)pyrrolo[2,3-b]pyridine-2-carboxylate Traditional Name: 1-ethyl-3-(tetrahydrofuran-3-carbonylamino)-5-(thiazol-2-ylmethylamino)pyrrolo[2,3-b]pyridine-2-carboxylic acid methyl ester Formula: C20H23N5O4S MolecularWeight: 429.49272

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C2=CC(=CN=C21)NCC3=NC=CS3)NC(=O)C4CCOC4)C(=O)OC

Isomeric SMILES

CCN1C(=C(C2=CC(=CN=C21)NCC3=NC=CS3)NC(=O)C4CCOC4)C(=O)OC

InChI

InChI=1S/C20H23N5O4S/c1-3-25-17(20(27)28-2)16(24-19(26)12-4-6-29-11-12)14-8-13(9-23-18(14)25)22-10-15-21-5-7-30-15/h5,7-9,12,22H,3-4,6,10-11H2,1-2H3,(H,24,26)