ethyl 7-ethanoyl-2-methylsulfanyl-1-nitro-indolizine-3-carboxylate

Systemtic Name: ethyl 7-ethanoyl-2-methylsulfanyl-1-nitro-indolizine-3-carboxylate Openeye Name: ethyl 7-acetyl-2-methylsulfanyl-1-nitro-indolizine-3-carboxylate CAS Name: 7-acetyl-2-(methylthio)-1-nitro-3-indolizinecarboxylic acid ethyl ester IUPAC Name: ethyl 7-acetyl-2-methylsulfanyl-1-nitroindolizine-3-carboxylate Traditional Name: 7-acetyl-2-(methylthio)-1-nitro-indolizine-3-carboxylic acid ethyl ester Formula: C14H14N2O5S MolecularWeight: 322.33636

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C2N1C=CC(=C2)C(=O)C)[N+](=O)[O-])SC

Isomeric SMILES

CCOC(=O)C1=C(C(=C2N1C=CC(=C2)C(=O)C)[N+](=O)[O-])SC

InChI

InChI=1S/C14H14N2O5S/c1-4-21-14(18)12-13(22-3)11(16(19)20)10-7-9(8(2)17)5-6-15(10)12/h5-7H,4H2,1-3H3