[2-oxidanylidene-2-(pentylamino)ethyl] 4,6-dimethyl-3-pyrrol-1-yl-thieno[2,3-b]pyridine-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-(pentylamino)ethyl] 4,6-dimethyl-3-pyrrol-1-yl-thieno[2,3-b]pyridine-2-carboxylate Openeye Name: [2-oxo-2-(pentylamino)ethyl] 4,6-dimethyl-3-pyrrol-1-yl-thieno[2,3-b]pyridine-2-carboxylate CAS Name: 4,6-dimethyl-3-(1-pyrrolyl)-2-thieno[2,3-b]pyridinecarboxylic acid [2-oxo-2-(pentylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentylamino)ethyl] 4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxylate Traditional Name: 4,6-dimethyl-3-pyrrol-1-yl-thieno[2,3-b]pyridine-2-carboxylic acid [2-(amylamino)-2-keto-ethyl] ester Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)COC(=O)C1=C(C2=C(S1)N=C(C=C2C)C)N3C=CC=C3

Isomeric SMILES

CCCCCNC(=O)COC(=O)C1=C(C2=C(S1)N=C(C=C2C)C)N3C=CC=C3

InChI

InChI=1S/C21H25N3O3S/c1-4-5-6-9-22-16(25)13-27-21(26)19-18(24-10-7-8-11-24)17-14(2)12-15(3)23-20(17)28-19/h7-8,10-12H,4-6,9,13H2,1-3H3,(H,22,25)