ethyl 2-methyl-4-(3-nitrophenyl)-5-oxidanylidene-4,7-dihydro-1H-thieno[3,4-b]pyridine-3-carboxylate

Systemtic Name: ethyl 2-methyl-4-(3-nitrophenyl)-5-oxidanylidene-4,7-dihydro-1H-thieno[3,4-b]pyridine-3-carboxylate Openeye Name: ethyl 2-methyl-4-(3-nitrophenyl)-5-oxo-4,7-dihydro-1H-thieno[3,4-b]pyridine-3-carboxylate CAS Name: 2-methyl-4-(3-nitrophenyl)-5-oxo-4,7-dihydro-1H-thieno[3,4-b]pyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-methyl-4-(3-nitrophenyl)-5-oxo-4,7-dihydro-1H-thieno[3,4-b]pyridine-3-carboxylate Traditional Name: 5-keto-2-methyl-4-(3-nitrophenyl)-4,7-dihydro-1H-thieno[3,4-b]pyridine-3-carboxylic acid ethyl ester Formula: C17H16N2O5S MolecularWeight: 360.38434

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC2=C(C1C3=CC(=CC=C3)[N+](=O)[O-])C(=O)SC2)C

Isomeric SMILES

CCOC(=O)C1=C(NC2=C(C1C3=CC(=CC=C3)[N+](=O)[O-])C(=O)SC2)C

InChI

InChI=1S/C17H16N2O5S/c1-3-24-16(20)13-9(2)18-12-8-25-17(21)15(12)14(13)10-5-4-6-11(7-10)19(22)23/h4-7,14,18H,3,8H2,1-2H3