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

Systemtic Name: methyl 5-(1-methylsulfanylpropan-2-ylamino)-3-(oxolan-3-ylcarbonylamino)-1-phenethyl-pyrrolo[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 5-[(1-methyl-2-methylsulfanyl-ethyl)amino]-1-phenethyl-3-(tetrahydrofuran-3-carbonylamino)pyrrolo[2,3-b]pyridine-2-carboxylate CAS Name: 5-[1-(methylthio)propan-2-ylamino]-3-[[oxo(3-oxolanyl)methyl]amino]-1-phenethyl-2-pyrrolo[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 5-(1-methylsulfanylpropan-2-ylamino)-3-(oxolane-3-carbonylamino)-1-phenethylpyrrolo[2,3-b]pyridine-2-carboxylate Traditional Name: 5-[[1-methyl-2-(methylthio)ethyl]amino]-1-phenethyl-3-(tetrahydrofuran-3-carbonylamino)pyrrolo[2,3-b]pyridine-2-carboxylic acid methyl ester Formula: C26H32N4O4S MolecularWeight: 496.62168

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC)NC1=CN=C2C(=C1)C(=C(N2CCC3=CC=CC=C3)C(=O)OC)NC(=O)C4CCOC4

Isomeric SMILES

CC(CSC)NC1=CN=C2C(=C1)C(=C(N2CCC3=CC=CC=C3)C(=O)OC)NC(=O)C4CCOC4

InChI

InChI=1S/C26H32N4O4S/c1-17(16-35-3)28-20-13-21-22(29-25(31)19-10-12-34-15-19)23(26(32)33-2)30(24(21)27-14-20)11-9-18-7-5-4-6-8-18/h4-8,13-14,17,19,28H,9-12,15-16H2,1-3H3,(H,29,31)