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

Systemtic Name: [2-(2-methylbutan-2-ylamino)-2-oxidanylidene-ethyl] 4,6-dimethyl-3-pyrrol-1-yl-thieno[2,3-b]pyridine-2-carboxylate Openeye Name: [2-(1,1-dimethylpropylamino)-2-oxo-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-(2-methylbutan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylbutan-2-ylamino)-2-oxoethyl] 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-(tert-amylamino)-2-keto-ethyl] ester Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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