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

Systemtic Name: methyl 3-(furan-2-ylcarbonylamino)-1-methyl-5-(1-methylsulfanylpropan-2-ylamino)pyrrolo[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 3-(furan-2-carbonylamino)-1-methyl-5-[(1-methyl-2-methylsulfanyl-ethyl)amino]pyrrolo[2,3-b]pyridine-2-carboxylate CAS Name: 3-[[2-furanyl(oxo)methyl]amino]-1-methyl-5-[1-(methylthio)propan-2-ylamino]-2-pyrrolo[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 3-(furan-2-carbonylamino)-1-methyl-5-(1-methylsulfanylpropan-2-ylamino)pyrrolo[2,3-b]pyridine-2-carboxylate Traditional Name: 3-(2-furoylamino)-1-methyl-5-[[1-methyl-2-(methylthio)ethyl]amino]pyrrolo[2,3-b]pyridine-2-carboxylic acid methyl ester Formula: C19H22N4O4S MolecularWeight: 402.46738

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC)NC1=CN=C2C(=C1)C(=C(N2C)C(=O)OC)NC(=O)C3=CC=CO3

Isomeric SMILES

CC(CSC)NC1=CN=C2C(=C1)C(=C(N2C)C(=O)OC)NC(=O)C3=CC=CO3

InChI

InChI=1S/C19H22N4O4S/c1-11(10-28-4)21-12-8-13-15(22-18(24)14-6-5-7-27-14)16(19(25)26-3)23(2)17(13)20-9-12/h5-9,11,21H,10H2,1-4H3,(H,22,24)