methyl 3-(oxolan-2-ylcarbonylamino)-1-phenethyl-5-(thian-4-ylamino)pyrrolo[2,3-b]pyridine-2-carboxylate

Systemtic Name: methyl 3-(oxolan-2-ylcarbonylamino)-1-phenethyl-5-(thian-4-ylamino)pyrrolo[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 1-phenethyl-3-(tetrahydrofuran-2-carbonylamino)-5-(tetrahydrothiopyran-4-ylamino)pyrrolo[2,3-b]pyridine-2-carboxylate CAS Name: 3-[[oxo(2-oxolanyl)methyl]amino]-1-phenethyl-5-(4-thianylamino)-2-pyrrolo[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 3-(oxolane-2-carbonylamino)-1-phenethyl-5-(thian-4-ylamino)pyrrolo[2,3-b]pyridine-2-carboxylate Traditional Name: 1-phenethyl-3-(tetrahydrofuran-2-carbonylamino)-5-(tetrahydrothiopyran-4-ylamino)pyrrolo[2,3-b]pyridine-2-carboxylic acid methyl ester Formula: C27H32N4O4S MolecularWeight: 508.63238

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=CC(=CN=C2N1CCC3=CC=CC=C3)NC4CCSCC4)NC(=O)C5CCCO5

Isomeric SMILES

COC(=O)C1=C(C2=CC(=CN=C2N1CCC3=CC=CC=C3)NC4CCSCC4)NC(=O)C5CCCO5

InChI

InChI=1S/C27H32N4O4S/c1-34-27(33)24-23(30-26(32)22-8-5-13-35-22)21-16-20(29-19-10-14-36-15-11-19)17-28-25(21)31(24)12-9-18-6-3-2-4-7-18/h2-4,6-7,16-17,19,22,29H,5,8-15H2,1H3,(H,30,32)