4-(2-cyanoethanoyl)-3-oxidanylidene-thiomorpholine-2-carboxylic acid

Systemtic Name: 4-(2-cyanoethanoyl)-3-oxidanylidene-thiomorpholine-2-carboxylic acid Openeye Name: 4-(2-cyanoacetyl)-3-oxo-thiomorpholine-2-carboxylic acid CAS Name: 4-(2-cyano-1-oxoethyl)-3-oxo-2-thiomorpholinecarboxylic acid IUPAC Name: 4-(2-cyanoacetyl)-3-oxothiomorpholine-2-carboxylic acid Traditional Name: 4-(2-cyanoacetyl)-3-keto-thiomorpholine-2-carboxylic acid Formula: C8H8N2O4S MolecularWeight: 228.22512

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(C(=O)N1C(=O)CC#N)C(=O)O

Isomeric SMILES

C1CSC(C(=O)N1C(=O)CC#N)C(=O)O

InChI

InChI=1S/C8H8N2O4S/c9-2-1-5(11)10-3-4-15-6(7(10)12)8(13)14/h6H,1,3-4H2,(H,13,14)