3-(4,5-dicyano-2-morpholin-4-yl-phenyl)sulfanylpropanoic acid

Systemtic Name: 3-(4,5-dicyano-2-morpholin-4-yl-phenyl)sulfanylpropanoic acid Openeye Name: 3-(4,5-dicyano-2-morpholino-phenyl)sulfanylpropanoic acid CAS Name: 3-[[4,5-dicyano-2-(4-morpholinyl)phenyl]thio]propanoic acid IUPAC Name: 3-(4,5-dicyano-2-morpholin-4-ylphenyl)sulfanylpropanoic acid Traditional Name: 3-[(4,5-dicyano-2-morpholino-phenyl)thio]propionic acid Formula: C15H15N3O3S MolecularWeight: 317.3629

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C(=C2)C#N)C#N)SCCC(=O)O

Isomeric SMILES

C1COCCN1C2=C(C=C(C(=C2)C#N)C#N)SCCC(=O)O

InChI

InChI=1S/C15H15N3O3S/c16-9-11-7-13(18-2-4-21-5-3-18)14(8-12(11)10-17)22-6-1-15(19)20/h7-8H,1-6H2,(H,19,20)