methyl 3-(oxolan-3-ylcarbonylamino)-1-phenethyl-5-(thiolan-3-ylamino)pyrrolo[2,3-b]pyridine-2-carboxylate

Systemtic Name: methyl 3-(oxolan-3-ylcarbonylamino)-1-phenethyl-5-(thiolan-3-ylamino)pyrrolo[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 1-phenethyl-3-(tetrahydrofuran-3-carbonylamino)-5-(tetrahydrothiophen-3-ylamino)pyrrolo[2,3-b]pyridine-2-carboxylate CAS Name: 3-[[oxo(3-oxolanyl)methyl]amino]-1-phenethyl-5-(3-thiolanylamino)-2-pyrrolo[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 3-(oxolane-3-carbonylamino)-1-phenethyl-5-(thiolan-3-ylamino)pyrrolo[2,3-b]pyridine-2-carboxylate Traditional Name: 1-phenethyl-3-(tetrahydrofuran-3-carbonylamino)-5-(tetrahydrothiophen-3-ylamino)pyrrolo[2,3-b]pyridine-2-carboxylic acid methyl ester Formula: C26H30N4O4S MolecularWeight: 494.6058

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=CC(=CN=C2N1CCC3=CC=CC=C3)NC4CCSC4)NC(=O)C5CCOC5

Isomeric SMILES

COC(=O)C1=C(C2=CC(=CN=C2N1CCC3=CC=CC=C3)NC4CCSC4)NC(=O)C5CCOC5

InChI

InChI=1S/C26H30N4O4S/c1-33-26(32)23-22(29-25(31)18-8-11-34-15-18)21-13-20(28-19-9-12-35-16-19)14-27-24(21)30(23)10-7-17-5-3-2-4-6-17/h2-6,13-14,18-19,28H,7-12,15-16H2,1H3,(H,29,31)