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

Systemtic Name: ethyl 4-[(4-cyano-1-morpholin-4-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]butanoate Openeye Name: ethyl 4-[(4-cyano-1-morpholino-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]butanoate CAS Name: 4-[[4-cyano-1-(4-morpholinyl)-5,6,7,8-tetrahydroisoquinolin-3-yl]thio]butanoic acid ethyl ester IUPAC Name: ethyl 4-[(4-cyano-1-morpholin-4-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]butanoate Traditional Name: 4-[(4-cyano-1-morpholino-5,6,7,8-tetrahydroisoquinolin-3-yl)thio]butyric acid ethyl ester Formula: C20H27N3O3S MolecularWeight: 389.51168

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCSC1=NC(=C2CCCCC2=C1C#N)N3CCOCC3

Isomeric SMILES

CCOC(=O)CCCSC1=NC(=C2CCCCC2=C1C#N)N3CCOCC3

InChI

InChI=1S/C20H27N3O3S/c1-2-26-18(24)8-5-13-27-20-17(14-21)15-6-3-4-7-16(15)19(22-20)23-9-11-25-12-10-23/h2-13H2,1H3