methyl 3-acetamido-5-(1-benzothiophen-2-ylmethylamino)-1-(oxolan-2-ylmethyl)pyrrolo[2,3-b]pyridine-2-carboxylate

Systemtic Name: methyl 3-acetamido-5-(1-benzothiophen-2-ylmethylamino)-1-(oxolan-2-ylmethyl)pyrrolo[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 3-acetamido-5-(benzothiophen-2-ylmethylamino)-1-(tetrahydrofuran-2-ylmethyl)pyrrolo[2,3-b]pyridine-2-carboxylate CAS Name: 3-acetamido-5-(1-benzothiophen-2-ylmethylamino)-1-(2-oxolanylmethyl)-2-pyrrolo[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 3-acetamido-5-(1-benzothiophen-2-ylmethylamino)-1-(oxolan-2-ylmethyl)pyrrolo[2,3-b]pyridine-2-carboxylate Traditional Name: 3-acetamido-5-(benzothiophen-2-ylmethylamino)-1-(tetrahydrofurfuryl)pyrrolo[2,3-b]pyridine-2-carboxylic acid methyl ester Formula: C25H26N4O4S MolecularWeight: 478.56334

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(N(C2=NC=C(C=C12)NCC3=CC4=CC=CC=C4S3)CC5CCCO5)C(=O)OC

Isomeric SMILES

CC(=O)NC1=C(N(C2=NC=C(C=C12)NCC3=CC4=CC=CC=C4S3)CC5CCCO5)C(=O)OC

InChI

InChI=1S/C25H26N4O4S/c1-15(30)28-22-20-11-17(26-13-19-10-16-6-3-4-8-21(16)34-19)12-27-24(20)29(23(22)25(31)32-2)14-18-7-5-9-33-18/h3-4,6,8,10-12,18,26H,5,7,9,13-14H2,1-2H3,(H,28,30)