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

Systemtic Name: methyl 3-(oxolan-3-ylcarbonylamino)-1-phenethyl-5-(thiophen-3-ylmethylamino)pyrrolo[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 1-phenethyl-3-(tetrahydrofuran-3-carbonylamino)-5-(3-thienylmethylamino)pyrrolo[2,3-b]pyridine-2-carboxylate CAS Name: 3-[[oxo(3-oxolanyl)methyl]amino]-1-phenethyl-5-(3-thiophenylmethylamino)-2-pyrrolo[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 3-(oxolane-3-carbonylamino)-1-phenethyl-5-(thiophen-3-ylmethylamino)pyrrolo[2,3-b]pyridine-2-carboxylate Traditional Name: 1-phenethyl-3-(tetrahydrofuran-3-carbonylamino)-5-(3-thenylamino)pyrrolo[2,3-b]pyridine-2-carboxylic acid methyl ester Formula: C27H28N4O4S MolecularWeight: 504.60062

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=CC(=CN=C2N1CCC3=CC=CC=C3)NCC4=CSC=C4)NC(=O)C5CCOC5

Isomeric SMILES

COC(=O)C1=C(C2=CC(=CN=C2N1CCC3=CC=CC=C3)NCC4=CSC=C4)NC(=O)C5CCOC5

InChI

InChI=1S/C27H28N4O4S/c1-34-27(33)24-23(30-26(32)20-8-11-35-16-20)22-13-21(28-14-19-9-12-36-17-19)15-29-25(22)31(24)10-7-18-5-3-2-4-6-18/h2-6,9,12-13,15,17,20,28H,7-8,10-11,14,16H2,1H3,(H,30,32)