ethyl 3-ethanoyl-7-methyl-4-(4-nitrophenyl)-2-oxidanylidene-1H-[1]benzothiolo[3,2-b]pyridine-9-carboxylate

Systemtic Name: ethyl 3-ethanoyl-7-methyl-4-(4-nitrophenyl)-2-oxidanylidene-1H-[1]benzothiolo[3,2-b]pyridine-9-carboxylate Openeye Name: ethyl 3-acetyl-7-methyl-4-(4-nitrophenyl)-2-oxo-1H-benzothiopheno[3,2-b]pyridine-9-carboxylate CAS Name: 3-acetyl-7-methyl-4-(4-nitrophenyl)-2-oxo-1H-[1]benzothiolo[3,2-b]pyridine-9-carboxylic acid ethyl ester IUPAC Name: ethyl 3-acetyl-7-methyl-4-(4-nitrophenyl)-2-oxo-1H-[1]benzothiolo[3,2-b]pyridine-9-carboxylate Traditional Name: 3-acetyl-2-keto-7-methyl-4-(4-nitrophenyl)-1H-benzothiopheno[3,2-b]pyridine-9-carboxylic acid ethyl ester Formula: C23H18N2O6S MolecularWeight: 450.46382

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC2=C1C3=C(S2)C(=C(C(=O)N3)C(=O)C)C4=CC=C(C=C4)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=CC(=CC2=C1C3=C(S2)C(=C(C(=O)N3)C(=O)C)C4=CC=C(C=C4)[N+](=O)[O-])C

InChI

InChI=1S/C23H18N2O6S/c1-4-31-23(28)15-9-11(2)10-16-19(15)20-21(32-16)18(17(12(3)26)22(27)24-20)13-5-7-14(8-6-13)25(29)30/h5-10H,4H2,1-3H3,(H,24,27)