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

Systemtic Name: [1-[(2-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-azanyl-4,6-dimethyl-thieno[2,3-b]pyridine-2-carboxylate Openeye Name: [2-(2-cyanoanilino)-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-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-cyanoanilino)-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-(2-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C20H18N4O3S MolecularWeight: 394.44692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C(=C(S2)C(=O)OC(C)C(=O)NC3=CC=CC=C3C#N)N)C

Isomeric SMILES

CC1=CC(=NC2=C1C(=C(S2)C(=O)OC(C)C(=O)NC3=CC=CC=C3C#N)N)C

InChI

InChI=1S/C20H18N4O3S/c1-10-8-11(2)23-19-15(10)16(22)17(28-19)20(26)27-12(3)18(25)24-14-7-5-4-6-13(14)9-21/h4-8,12H,22H2,1-3H3,(H,24,25)