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

Systemtic Name: methyl 1-methyl-3-(3-phenylpropanoylamino)-5-(thiolan-3-ylamino)pyrrolo[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 1-methyl-3-(3-phenylpropanoylamino)-5-(tetrahydrothiophen-3-ylamino)pyrrolo[2,3-b]pyridine-2-carboxylate CAS Name: 1-methyl-3-[(1-oxo-3-phenylpropyl)amino]-5-(3-thiolanylamino)-2-pyrrolo[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 1-methyl-3-(3-phenylpropanoylamino)-5-(thiolan-3-ylamino)pyrrolo[2,3-b]pyridine-2-carboxylate Traditional Name: 3-(hydrocinnamoylamino)-1-methyl-5-(tetrahydrothiophen-3-ylamino)pyrrolo[2,3-b]pyridine-2-carboxylic acid methyl ester Formula: C23H26N4O3S MolecularWeight: 438.54254

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C2=CC(=CN=C21)NC3CCSC3)NC(=O)CCC4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CN1C(=C(C2=CC(=CN=C21)NC3CCSC3)NC(=O)CCC4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C23H26N4O3S/c1-27-21(23(29)30-2)20(26-19(28)9-8-15-6-4-3-5-7-15)18-12-17(13-24-22(18)27)25-16-10-11-31-14-16/h3-7,12-13,16,25H,8-11,14H2,1-2H3,(H,26,28)