diethyl (4R,5R)-2-(2-azanyl-1-cyano-2-oxidanylidene-ethylidene)-1,3-dithiolane-4,5-dicarboxylate

Systemtic Name: diethyl (4R,5R)-2-(2-azanyl-1-cyano-2-oxidanylidene-ethylidene)-1,3-dithiolane-4,5-dicarboxylate Openeye Name: diethyl (4R,5R)-2-(2-amino-1-cyano-2-oxo-ethylidene)-1,3-dithiolane-4,5-dicarboxylate CAS Name: (4R,5R)-2-(2-amino-1-cyano-2-oxoethylidene)-1,3-dithiolane-4,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl (4R,5R)-2-(2-amino-1-cyano-2-oxoethylidene)-1,3-dithiolane-4,5-dicarboxylate Traditional Name: (4R,5R)-2-(2-amino-1-cyano-2-keto-ethylidene)-1,3-dithiolane-4,5-dicarboxylic acid diethyl ester Formula: C12H14N2O5S2 MolecularWeight: 330.37996

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(SC(=C(C#N)C(=O)N)S1)C(=O)OCC

Isomeric SMILES

CCOC(=O)[C@@H]1[C@H](SC(=C(C#N)C(=O)N)S1)C(=O)OCC

InChI

InChI=1S/C12H14N2O5S2/c1-3-18-10(16)7-8(11(17)19-4-2)21-12(20-7)6(5-13)9(14)15/h7-8H,3-4H2,1-2H3,(H2,14,15)/t7-,8-/m0/s1