methyl 3-[(4-methoxyphenyl)carbonylamino]-1-methyl-5-(1-methylsulfanylpropan-2-ylamino)pyrrolo[2,3-b]pyridine-2-carboxylate

Systemtic Name: methyl 3-[(4-methoxyphenyl)carbonylamino]-1-methyl-5-(1-methylsulfanylpropan-2-ylamino)pyrrolo[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 3-[(4-methoxybenzoyl)amino]-1-methyl-5-[(1-methyl-2-methylsulfanyl-ethyl)amino]pyrrolo[2,3-b]pyridine-2-carboxylate CAS Name: 3-[[(4-methoxyphenyl)-oxomethyl]amino]-1-methyl-5-[1-(methylthio)propan-2-ylamino]-2-pyrrolo[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 3-[(4-methoxybenzoyl)amino]-1-methyl-5-(1-methylsulfanylpropan-2-ylamino)pyrrolo[2,3-b]pyridine-2-carboxylate Traditional Name: 1-methyl-5-[[1-methyl-2-(methylthio)ethyl]amino]-3-(p-anisoylamino)pyrrolo[2,3-b]pyridine-2-carboxylic acid methyl ester Formula: C22H26N4O4S MolecularWeight: 442.53124

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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=C(C=C3)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O4S/c1-13(12-31-5)24-15-10-17-18(19(22(28)30-4)26(2)20(17)23-11-15)25-21(27)14-6-8-16(29-3)9-7-14/h6-11,13,24H,12H2,1-5H3,(H,25,27)