ethyl 6-aminocarbonyl-2-methylsulfanyl-1-nitro-indolizine-3-carboxylate

Systemtic Name: ethyl 6-aminocarbonyl-2-methylsulfanyl-1-nitro-indolizine-3-carboxylate Openeye Name: ethyl 6-carbamoyl-2-methylsulfanyl-1-nitro-indolizine-3-carboxylate CAS Name: 6-carbamoyl-2-(methylthio)-1-nitro-3-indolizinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-carbamoyl-2-methylsulfanyl-1-nitroindolizine-3-carboxylate Traditional Name: 6-carbamoyl-2-(methylthio)-1-nitro-indolizine-3-carboxylic acid ethyl ester Formula: C13H13N3O5S MolecularWeight: 323.32442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13N3O5S/c1-3-21-13(18)10-11(22-2)9(16(19)20)8-5-4-7(12(14)17)6-15(8)10/h4-6H,3H2,1-2H3,(H2,14,17)