methyl 3-benzamido-5-[(3-methylthiophen-2-yl)methylamino]-1-(oxolan-2-ylmethyl)pyrrolo[2,3-b]pyridine-2-carboxylate

Systemtic Name: methyl 3-benzamido-5-[(3-methylthiophen-2-yl)methylamino]-1-(oxolan-2-ylmethyl)pyrrolo[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 3-benzamido-5-[(3-methyl-2-thienyl)methylamino]-1-(tetrahydrofuran-2-ylmethyl)pyrrolo[2,3-b]pyridine-2-carboxylate CAS Name: 3-benzamido-5-[(3-methyl-2-thiophenyl)methylamino]-1-(2-oxolanylmethyl)-2-pyrrolo[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 3-benzamido-5-[(3-methylthiophen-2-yl)methylamino]-1-(oxolan-2-ylmethyl)pyrrolo[2,3-b]pyridine-2-carboxylate Traditional Name: 3-benzamido-5-[(3-methyl-2-thienyl)methylamino]-1-(tetrahydrofurfuryl)pyrrolo[2,3-b]pyridine-2-carboxylic acid methyl ester Formula: C27H28N4O4S MolecularWeight: 504.60062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)CNC2=CN=C3C(=C2)C(=C(N3CC4CCCO4)C(=O)OC)NC(=O)C5=CC=CC=C5

Isomeric SMILES

CC1=C(SC=C1)CNC2=CN=C3C(=C2)C(=C(N3CC4CCCO4)C(=O)OC)NC(=O)C5=CC=CC=C5

InChI

InChI=1S/C27H28N4O4S/c1-17-10-12-36-22(17)15-28-19-13-21-23(30-26(32)18-7-4-3-5-8-18)24(27(33)34-2)31(25(21)29-14-19)16-20-9-6-11-35-20/h3-5,7-8,10,12-14,20,28H,6,9,11,15-16H2,1-2H3,(H,30,32)