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

Systemtic Name: methyl 1-ethyl-3-(oxolan-3-ylcarbonylamino)-5-(thiophen-2-ylmethylamino)pyrrolo[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 1-ethyl-3-(tetrahydrofuran-3-carbonylamino)-5-(2-thienylmethylamino)pyrrolo[2,3-b]pyridine-2-carboxylate CAS Name: 1-ethyl-3-[[oxo(3-oxolanyl)methyl]amino]-5-(thiophen-2-ylmethylamino)-2-pyrrolo[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 1-ethyl-3-(oxolane-3-carbonylamino)-5-(thiophen-2-ylmethylamino)pyrrolo[2,3-b]pyridine-2-carboxylate Traditional Name: 1-ethyl-3-(tetrahydrofuran-3-carbonylamino)-5-(2-thenylamino)pyrrolo[2,3-b]pyridine-2-carboxylic acid methyl ester Formula: C21H24N4O4S MolecularWeight: 428.50466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O4S/c1-3-25-18(21(27)28-2)17(24-20(26)13-6-7-29-12-13)16-9-14(10-23-19(16)25)22-11-15-5-4-8-30-15/h4-5,8-10,13,22H,3,6-7,11-12H2,1-2H3,(H,24,26)