methyl 3-(oxolan-2-ylcarbonylamino)-1-phenethyl-5-(1,3-thiazol-2-ylmethylamino)pyrrolo[2,3-b]pyridine-2-carboxylate

Systemtic Name: methyl 3-(oxolan-2-ylcarbonylamino)-1-phenethyl-5-(1,3-thiazol-2-ylmethylamino)pyrrolo[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 1-phenethyl-3-(tetrahydrofuran-2-carbonylamino)-5-(thiazol-2-ylmethylamino)pyrrolo[2,3-b]pyridine-2-carboxylate CAS Name: 3-[[oxo(2-oxolanyl)methyl]amino]-1-phenethyl-5-(2-thiazolylmethylamino)-2-pyrrolo[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 3-(oxolane-2-carbonylamino)-1-phenethyl-5-(1,3-thiazol-2-ylmethylamino)pyrrolo[2,3-b]pyridine-2-carboxylate Traditional Name: 1-phenethyl-3-(tetrahydrofuran-2-carbonylamino)-5-(thiazol-2-ylmethylamino)pyrrolo[2,3-b]pyridine-2-carboxylic acid methyl ester Formula: C26H27N5O4S MolecularWeight: 505.58868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=CC(=CN=C2N1CCC3=CC=CC=C3)NCC4=NC=CS4)NC(=O)C5CCCO5

Isomeric SMILES

COC(=O)C1=C(C2=CC(=CN=C2N1CCC3=CC=CC=C3)NCC4=NC=CS4)NC(=O)C5CCCO5

InChI

InChI=1S/C26H27N5O4S/c1-34-26(33)23-22(30-25(32)20-8-5-12-35-20)19-14-18(28-16-21-27-10-13-36-21)15-29-24(19)31(23)11-9-17-6-3-2-4-7-17/h2-4,6-7,10,13-15,20,28H,5,8-9,11-12,16H2,1H3,(H,30,32)