methyl 3-benzamido-1-(furan-2-ylmethyl)-5-(thian-4-ylamino)pyrrolo[2,3-b]pyridine-2-carboxylate

Systemtic Name: methyl 3-benzamido-1-(furan-2-ylmethyl)-5-(thian-4-ylamino)pyrrolo[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 3-benzamido-1-(2-furylmethyl)-5-(tetrahydrothiopyran-4-ylamino)pyrrolo[2,3-b]pyridine-2-carboxylate CAS Name: 3-benzamido-1-(2-furanylmethyl)-5-(4-thianylamino)-2-pyrrolo[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 3-benzamido-1-(furan-2-ylmethyl)-5-(thian-4-ylamino)pyrrolo[2,3-b]pyridine-2-carboxylate Traditional Name: 3-benzamido-1-(2-furfuryl)-5-(tetrahydrothiopyran-4-ylamino)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=C2N1CC3=CC=CO3)NC4CCSCC4)NC(=O)C5=CC=CC=C5

Isomeric SMILES

COC(=O)C1=C(C2=CC(=CN=C2N1CC3=CC=CO3)NC4CCSCC4)NC(=O)C5=CC=CC=C5

InChI

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