ethyl 6-(diethylcarbamoyl)-2-methylsulfanyl-1-nitro-indolizine-3-carboxylate

Systemtic Name: ethyl 6-(diethylcarbamoyl)-2-methylsulfanyl-1-nitro-indolizine-3-carboxylate Openeye Name: ethyl 6-(diethylcarbamoyl)-2-methylsulfanyl-1-nitro-indolizine-3-carboxylate CAS Name: 6-[diethylamino(oxo)methyl]-2-(methylthio)-1-nitro-3-indolizinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-(diethylcarbamoyl)-2-methylsulfanyl-1-nitroindolizine-3-carboxylate Traditional Name: 6-(diethylcarbamoyl)-2-(methylthio)-1-nitro-indolizine-3-carboxylic acid ethyl ester Formula: C17H21N3O5S MolecularWeight: 379.43074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CN2C(=C(C(=C2C(=O)OCC)SC)[N+](=O)[O-])C=C1

Isomeric SMILES

CCN(CC)C(=O)C1=CN2C(=C(C(=C2C(=O)OCC)SC)[N+](=O)[O-])C=C1

InChI

InChI=1S/C17H21N3O5S/c1-5-18(6-2)16(21)11-8-9-12-13(20(23)24)15(26-4)14(19(12)10-11)17(22)25-7-3/h8-10H,5-7H2,1-4H3