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2-[(4-cyano-1-morpholin-4-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]propanoic acid

2-[(4-cyano-1-morpholin-4-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]propanoic acid

Systemtic Name:2-[(4-cyano-1-morpholin-4-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]propanoic acid
Openeye Name:2-[(4-cyano-1-morpholino-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]propanoic acid
CAS Name:2-[[4-cyano-1-(4-morpholinyl)-5,6,7,8-tetrahydroisoquinolin-3-yl]thio]propanoic acid
IUPAC Name:2-[(4-cyano-1-morpholin-4-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]propanoic acid
Traditional Name:2-[(4-cyano-1-morpholino-5,6,7,8-tetrahydroisoquinolin-3-yl)thio]propionic acid
Formula: C17H21N3O3S
MolecularWeight: 347.43194
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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SC1=NC(=C2CCCCC2=C1C#N)N3CCOCC3


Isomeric SMILES

CC(C(=O)O)SC1=NC(=C2CCCCC2=C1C#N)N3CCOCC3


InChI

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


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