methyl 3-acetamido-1-(3-methylbutyl)-5-[(3-methylthiophen-2-yl)methylamino]pyrrolo[2,3-b]pyridine-2-carboxylate

Systemtic Name: methyl 3-acetamido-1-(3-methylbutyl)-5-[(3-methylthiophen-2-yl)methylamino]pyrrolo[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 3-acetamido-1-isopentyl-5-[(3-methyl-2-thienyl)methylamino]pyrrolo[2,3-b]pyridine-2-carboxylate CAS Name: 3-acetamido-1-(3-methylbutyl)-5-[(3-methyl-2-thiophenyl)methylamino]-2-pyrrolo[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 3-acetamido-1-(3-methylbutyl)-5-[(3-methylthiophen-2-yl)methylamino]pyrrolo[2,3-b]pyridine-2-carboxylate Traditional Name: 3-acetamido-1-isoamyl-5-[(3-methyl-2-thienyl)methylamino]pyrrolo[2,3-b]pyridine-2-carboxylic acid methyl ester Formula: C22H28N4O3S MolecularWeight: 428.54772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)CNC2=CN=C3C(=C2)C(=C(N3CCC(C)C)C(=O)OC)NC(=O)C

Isomeric SMILES

CC1=C(SC=C1)CNC2=CN=C3C(=C2)C(=C(N3CCC(C)C)C(=O)OC)NC(=O)C

InChI

InChI=1S/C22H28N4O3S/c1-13(2)6-8-26-20(22(28)29-5)19(25-15(4)27)17-10-16(11-24-21(17)26)23-12-18-14(3)7-9-30-18/h7,9-11,13,23H,6,8,12H2,1-5H3,(H,25,27)