[1-[(2-cyano-3-methyl-butan-2-yl)amino]-1-oxidanylidene-propan-2-yl] 3-azanyl-4,6-dimethyl-thieno[2,3-b]pyridine-2-carboxylate

Systemtic Name: [1-[(2-cyano-3-methyl-butan-2-yl)amino]-1-oxidanylidene-propan-2-yl] 3-azanyl-4,6-dimethyl-thieno[2,3-b]pyridine-2-carboxylate Openeye Name: [2-[(1-cyano-1,2-dimethyl-propyl)amino]-1-methyl-2-oxo-ethyl] 3-amino-4,6-dimethyl-thieno[2,3-b]pyridine-2-carboxylate CAS Name: 3-amino-4,6-dimethyl-2-thieno[2,3-b]pyridinecarboxylic acid [1-[(2-cyano-3-methylbutan-2-yl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(2-cyano-3-methylbutan-2-yl)amino]-1-oxopropan-2-yl] 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate Traditional Name: 3-amino-4,6-dimethyl-thieno[2,3-b]pyridine-2-carboxylic acid [2-[(1-cyano-1,2-dimethyl-propyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C19H24N4O3S MolecularWeight: 388.48386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C(=C(S2)C(=O)OC(C)C(=O)NC(C)(C#N)C(C)C)N)C

Isomeric SMILES

CC1=CC(=NC2=C1C(=C(S2)C(=O)OC(C)C(=O)NC(C)(C#N)C(C)C)N)C

InChI

InChI=1S/C19H24N4O3S/c1-9(2)19(6,8-20)23-16(24)12(5)26-18(25)15-14(21)13-10(3)7-11(4)22-17(13)27-15/h7,9,12H,21H2,1-6H3,(H,23,24)