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

Systemtic Name: methyl 3-benzamido-1-(oxolan-2-ylmethyl)-5-(thiolan-3-ylamino)pyrrolo[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 3-benzamido-1-(tetrahydrofuran-2-ylmethyl)-5-(tetrahydrothiophen-3-ylamino)pyrrolo[2,3-b]pyridine-2-carboxylate CAS Name: 3-benzamido-1-(2-oxolanylmethyl)-5-(3-thiolanylamino)-2-pyrrolo[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 3-benzamido-1-(oxolan-2-ylmethyl)-5-(thiolan-3-ylamino)pyrrolo[2,3-b]pyridine-2-carboxylate Traditional Name: 3-benzamido-1-(tetrahydrofurfuryl)-5-(tetrahydrothiophen-3-ylamino)pyrrolo[2,3-b]pyridine-2-carboxylic acid methyl ester Formula: C25H28N4O4S MolecularWeight: 480.57922

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=CC(=CN=C2N1CC3CCCO3)NC4CCSC4)NC(=O)C5=CC=CC=C5

Isomeric SMILES

COC(=O)C1=C(C2=CC(=CN=C2N1CC3CCCO3)NC4CCSC4)NC(=O)C5=CC=CC=C5

InChI

InChI=1S/C25H28N4O4S/c1-32-25(31)22-21(28-24(30)16-6-3-2-4-7-16)20-12-18(27-17-9-11-34-15-17)13-26-23(20)29(22)14-19-8-5-10-33-19/h2-4,6-7,12-13,17,19,27H,5,8-11,14-15H2,1H3,(H,28,30)