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

Systemtic Name: methyl 3-benzamido-1-(oxolan-2-ylmethyl)-5-(thiophen-3-ylmethylamino)pyrrolo[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 3-benzamido-1-(tetrahydrofuran-2-ylmethyl)-5-(3-thienylmethylamino)pyrrolo[2,3-b]pyridine-2-carboxylate CAS Name: 3-benzamido-1-(2-oxolanylmethyl)-5-(3-thiophenylmethylamino)-2-pyrrolo[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 3-benzamido-1-(oxolan-2-ylmethyl)-5-(thiophen-3-ylmethylamino)pyrrolo[2,3-b]pyridine-2-carboxylate Traditional Name: 3-benzamido-1-(tetrahydrofurfuryl)-5-(3-thenylamino)pyrrolo[2,3-b]pyridine-2-carboxylic acid methyl ester Formula: C26H26N4O4S MolecularWeight: 490.57404

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=CC(=CN=C2N1CC3CCCO3)NCC4=CSC=C4)NC(=O)C5=CC=CC=C5

Isomeric SMILES

COC(=O)C1=C(C2=CC(=CN=C2N1CC3CCCO3)NCC4=CSC=C4)NC(=O)C5=CC=CC=C5

InChI

InChI=1S/C26H26N4O4S/c1-33-26(32)23-22(29-25(31)18-6-3-2-4-7-18)21-12-19(27-13-17-9-11-35-16-17)14-28-24(21)30(23)15-20-8-5-10-34-20/h2-4,6-7,9,11-12,14,16,20,27H,5,8,10,13,15H2,1H3,(H,29,31)