ethyl 3-azanyl-6-methyl-2-(4-nitrophenyl)carbonyl-thieno[2,3-b]pyridine-4-carboxylate

Systemtic Name: ethyl 3-azanyl-6-methyl-2-(4-nitrophenyl)carbonyl-thieno[2,3-b]pyridine-4-carboxylate Openeye Name: ethyl 3-amino-6-methyl-2-(4-nitrobenzoyl)thieno[2,3-b]pyridine-4-carboxylate CAS Name: 3-amino-6-methyl-2-[(4-nitrophenyl)-oxomethyl]-4-thieno[2,3-b]pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-amino-6-methyl-2-(4-nitrobenzoyl)thieno[2,3-b]pyridine-4-carboxylate Traditional Name: 3-amino-6-methyl-2-(4-nitrobenzoyl)thieno[2,3-b]pyridine-4-carboxylic acid ethyl ester Formula: C18H15N3O5S MolecularWeight: 385.3938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=NC2=C1C(=C(S2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-])N)C

Isomeric SMILES

CCOC(=O)C1=CC(=NC2=C1C(=C(S2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-])N)C

InChI

InChI=1S/C18H15N3O5S/c1-3-26-18(23)12-8-9(2)20-17-13(12)14(19)16(27-17)15(22)10-4-6-11(7-5-10)21(24)25/h4-8H,3,19H2,1-2H3