methyl 1-ethyl-5-[(4-methylsulfanylphenyl)methylamino]-3-(oxolan-3-ylcarbonylamino)pyrrolo[2,3-b]pyridine-2-carboxylate

Systemtic Name: methyl 1-ethyl-5-[(4-methylsulfanylphenyl)methylamino]-3-(oxolan-3-ylcarbonylamino)pyrrolo[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 1-ethyl-5-[(4-methylsulfanylphenyl)methylamino]-3-(tetrahydrofuran-3-carbonylamino)pyrrolo[2,3-b]pyridine-2-carboxylate CAS Name: 1-ethyl-5-[[4-(methylthio)phenyl]methylamino]-3-[[oxo(3-oxolanyl)methyl]amino]-2-pyrrolo[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 1-ethyl-5-[(4-methylsulfanylphenyl)methylamino]-3-(oxolane-3-carbonylamino)pyrrolo[2,3-b]pyridine-2-carboxylate Traditional Name: 1-ethyl-5-[[4-(methylthio)benzyl]amino]-3-(tetrahydrofuran-3-carbonylamino)pyrrolo[2,3-b]pyridine-2-carboxylic acid methyl ester Formula: C24H28N4O4S MolecularWeight: 468.56852

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C2=CC(=CN=C21)NCC3=CC=C(C=C3)SC)NC(=O)C4CCOC4)C(=O)OC

Isomeric SMILES

CCN1C(=C(C2=CC(=CN=C21)NCC3=CC=C(C=C3)SC)NC(=O)C4CCOC4)C(=O)OC

InChI

InChI=1S/C24H28N4O4S/c1-4-28-21(24(30)31-2)20(27-23(29)16-9-10-32-14-16)19-11-17(13-26-22(19)28)25-12-15-5-7-18(33-3)8-6-15/h5-8,11,13,16,25H,4,9-10,12,14H2,1-3H3,(H,27,29)