diethyl 3-azanyl-2-cyano-1-(cyanomethyl)-5-methyl-7-thiophen-2-yl-indolizine-6,8-dicarboxylate

Systemtic Name: diethyl 3-azanyl-2-cyano-1-(cyanomethyl)-5-methyl-7-thiophen-2-yl-indolizine-6,8-dicarboxylate Openeye Name: diethyl 3-amino-2-cyano-1-(cyanomethyl)-5-methyl-7-(2-thienyl)indolizine-6,8-dicarboxylate CAS Name: 3-amino-2-cyano-1-(cyanomethyl)-5-methyl-7-thiophen-2-ylindolizine-6,8-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-amino-2-cyano-1-(cyanomethyl)-5-methyl-7-thiophen-2-ylindolizine-6,8-dicarboxylate Traditional Name: 3-amino-2-cyano-1-(cyanomethyl)-5-methyl-7-(2-thienyl)indolizine-6,8-dicarboxylic acid diethyl ester Formula: C22H20N4O4S MolecularWeight: 436.4836

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N2C(=C(C(=C2N)C#N)CC#N)C(=C1C3=CC=CS3)C(=O)OCC)C

Isomeric SMILES

CCOC(=O)C1=C(N2C(=C(C(=C2N)C#N)CC#N)C(=C1C3=CC=CS3)C(=O)OCC)C

InChI

InChI=1S/C22H20N4O4S/c1-4-29-21(27)16-12(3)26-19(13(8-9-23)14(11-24)20(26)25)18(22(28)30-5-2)17(16)15-7-6-10-31-15/h6-7,10H,4-5,8,25H2,1-3H3