diethyl (7S,8R,8aS)-3-azanyl-2-cyano-1-(dicyanomethylidene)-5-methyl-7-thiophen-2-yl-8,8a-dihydro-7H-indolizine-6,8-dicarboxylate

Systemtic Name: diethyl (7S,8R,8aS)-3-azanyl-2-cyano-1-(dicyanomethylidene)-5-methyl-7-thiophen-2-yl-8,8a-dihydro-7H-indolizine-6,8-dicarboxylate Openeye Name: diethyl (7S,8R,8aS)-3-amino-2-cyano-1-(dicyanomethylene)-5-methyl-7-(2-thienyl)-8,8a-dihydro-7H-indolizine-6,8-dicarboxylate CAS Name: (7S,8R,8aS)-3-amino-2-cyano-1-(dicyanomethylidene)-5-methyl-7-thiophen-2-yl-8,8a-dihydro-7H-indolizine-6,8-dicarboxylic acid diethyl ester IUPAC Name: diethyl (7S,8R,8aS)-3-amino-2-cyano-1-(dicyanomethylidene)-5-methyl-7-thiophen-2-yl-8,8a-dihydro-7H-indolizine-6,8-dicarboxylate Traditional Name: (7S,8R,8aS)-3-amino-2-cyano-1-(dicyanomethylene)-5-methyl-7-(2-thienyl)-8,8a-dihydro-7H-indolizine-6,8-dicarboxylic acid diethyl ester Formula: C23H21N5O4S MolecularWeight: 463.50894

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C(=C(N2C1C(=C(C#N)C#N)C(=C2N)C#N)C)C(=O)OCC)C3=CC=CS3

Isomeric SMILES

CCOC(=O)[C@@H]1[C@@H](C(=C(N2[C@@H]1C(=C(C#N)C#N)C(=C2N)C#N)C)C(=O)OCC)C3=CC=CS3

InChI

InChI=1S/C23H21N5O4S/c1-4-31-22(29)16-12(3)28-20(17(13(9-24)10-25)14(11-26)21(28)27)19(23(30)32-5-2)18(16)15-7-6-8-33-15/h6-8,18-20H,4-5,27H2,1-3H3/t18-,19-,20-/m1/s1