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

Systemtic Name: [1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-azanyl-4,6-dimethyl-thieno[2,3-b]pyridine-2-carboxylate Openeye Name: [1-methyl-2-(2-nitroanilino)-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-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-nitroanilino)-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-keto-1-methyl-2-(2-nitroanilino)ethyl] ester Formula: C19H18N4O5S MolecularWeight: 414.43502

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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=C3[N+](=O)[O-])N)C

Isomeric SMILES

CC1=CC(=NC2=C1C(=C(S2)C(=O)OC(C)C(=O)NC3=CC=CC=C3[N+](=O)[O-])N)C

InChI

InChI=1S/C19H18N4O5S/c1-9-8-10(2)21-18-14(9)15(20)16(29-18)19(25)28-11(3)17(24)22-12-6-4-5-7-13(12)23(26)27/h4-8,11H,20H2,1-3H3,(H,22,24)