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

Systemtic Name: ethyl 2-[(4-cyano-1-morpholin-4-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]propanoate Openeye Name: ethyl 2-[(4-cyano-1-morpholino-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]propanoate CAS Name: 2-[[4-cyano-1-(4-morpholinyl)-5,6,7,8-tetrahydroisoquinolin-3-yl]thio]propanoic acid ethyl ester IUPAC Name: ethyl 2-[(4-cyano-1-morpholin-4-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]propanoate Traditional Name: 2-[(4-cyano-1-morpholino-5,6,7,8-tetrahydroisoquinolin-3-yl)thio]propionic acid ethyl ester Formula: C19H25N3O3S MolecularWeight: 375.4851

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N3O3S/c1-3-25-19(23)13(2)26-18-16(12-20)14-6-4-5-7-15(14)17(21-18)22-8-10-24-11-9-22/h13H,3-11H2,1-2H3