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

Systemtic Name: methyl 3-(oxolan-2-ylcarbonylamino)-1-phenethyl-5-(thiolan-3-ylamino)pyrrolo[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 1-phenethyl-3-(tetrahydrofuran-2-carbonylamino)-5-(tetrahydrothiophen-3-ylamino)pyrrolo[2,3-b]pyridine-2-carboxylate CAS Name: 3-[[oxo(2-oxolanyl)methyl]amino]-1-phenethyl-5-(3-thiolanylamino)-2-pyrrolo[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 3-(oxolane-2-carbonylamino)-1-phenethyl-5-(thiolan-3-ylamino)pyrrolo[2,3-b]pyridine-2-carboxylate Traditional Name: 1-phenethyl-3-(tetrahydrofuran-2-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)C5CCCO5

Isomeric SMILES

COC(=O)C1=C(C2=CC(=CN=C2N1CCC3=CC=CC=C3)NC4CCSC4)NC(=O)C5CCCO5

InChI

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