methyl 1-ethyl-5-[(5-methylthiophen-2-yl)methylamino]-3-(oxolan-3-ylcarbonylamino)pyrrolo[2,3-b]pyridine-2-carboxylate

Systemtic Name: methyl 1-ethyl-5-[(5-methylthiophen-2-yl)methylamino]-3-(oxolan-3-ylcarbonylamino)pyrrolo[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 1-ethyl-5-[(5-methyl-2-thienyl)methylamino]-3-(tetrahydrofuran-3-carbonylamino)pyrrolo[2,3-b]pyridine-2-carboxylate CAS Name: 1-ethyl-5-[(5-methyl-2-thiophenyl)methylamino]-3-[[oxo(3-oxolanyl)methyl]amino]-2-pyrrolo[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 1-ethyl-5-[(5-methylthiophen-2-yl)methylamino]-3-(oxolane-3-carbonylamino)pyrrolo[2,3-b]pyridine-2-carboxylate Traditional Name: 1-ethyl-5-[(5-methyl-2-thienyl)methylamino]-3-(tetrahydrofuran-3-carbonylamino)pyrrolo[2,3-b]pyridine-2-carboxylic acid methyl ester Formula: C22H26N4O4S MolecularWeight: 442.53124

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C2=CC(=CN=C21)NCC3=CC=C(S3)C)NC(=O)C4CCOC4)C(=O)OC

Isomeric SMILES

CCN1C(=C(C2=CC(=CN=C21)NCC3=CC=C(S3)C)NC(=O)C4CCOC4)C(=O)OC

InChI

InChI=1S/C22H26N4O4S/c1-4-26-19(22(28)29-3)18(25-21(27)14-7-8-30-12-14)17-9-15(10-24-20(17)26)23-11-16-6-5-13(2)31-16/h5-6,9-10,14,23H,4,7-8,11-12H2,1-3H3,(H,25,27)