2-[(3-cyano-4-morpholin-4-yl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]propanoic acid

Systemtic Name: 2-[(3-cyano-4-morpholin-4-yl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]propanoic acid Openeye Name: 2-[(3-cyano-4-morpholino-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]propanoic acid CAS Name: 2-[[3-cyano-4-(4-morpholinyl)-5,6,7,8-tetrahydroquinolin-2-yl]thio]propanoic acid IUPAC Name: 2-[(3-cyano-4-morpholin-4-yl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]propanoic acid Traditional Name: 2-[(3-cyano-4-morpholino-5,6,7,8-tetrahydroquinolin-2-yl)thio]propionic acid Formula: C17H21N3O3S MolecularWeight: 347.43194

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SC1=NC2=C(CCCC2)C(=C1C#N)N3CCOCC3

Isomeric SMILES

CC(C(=O)O)SC1=NC2=C(CCCC2)C(=C1C#N)N3CCOCC3

InChI

InChI=1S/C17H21N3O3S/c1-11(17(21)22)24-16-13(10-18)15(20-6-8-23-9-7-20)12-4-2-3-5-14(12)19-16/h11H,2-9H2,1H3,(H,21,22)