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

Systemtic Name: methyl 3-benzamido-5-(1-methylsulfanylpropan-2-ylamino)-1-(oxolan-2-ylmethyl)pyrrolo[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 3-benzamido-5-[(1-methyl-2-methylsulfanyl-ethyl)amino]-1-(tetrahydrofuran-2-ylmethyl)pyrrolo[2,3-b]pyridine-2-carboxylate CAS Name: 3-benzamido-5-[1-(methylthio)propan-2-ylamino]-1-(2-oxolanylmethyl)-2-pyrrolo[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 3-benzamido-5-(1-methylsulfanylpropan-2-ylamino)-1-(oxolan-2-ylmethyl)pyrrolo[2,3-b]pyridine-2-carboxylate Traditional Name: 3-benzamido-5-[[1-methyl-2-(methylthio)ethyl]amino]-1-(tetrahydrofurfuryl)pyrrolo[2,3-b]pyridine-2-carboxylic acid methyl ester Formula: C25H30N4O4S MolecularWeight: 482.5951

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC)NC1=CN=C2C(=C1)C(=C(N2CC3CCCO3)C(=O)OC)NC(=O)C4=CC=CC=C4

Isomeric SMILES

CC(CSC)NC1=CN=C2C(=C1)C(=C(N2CC3CCCO3)C(=O)OC)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H30N4O4S/c1-16(15-34-3)27-18-12-20-21(28-24(30)17-8-5-4-6-9-17)22(25(31)32-2)29(23(20)26-13-18)14-19-10-7-11-33-19/h4-6,8-9,12-13,16,19,27H,7,10-11,14-15H2,1-3H3,(H,28,30)