methyl 5-[(4-cyano-1-morpholin-4-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanylmethyl]furan-2-carboxylate

Systemtic Name: methyl 5-[(4-cyano-1-morpholin-4-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanylmethyl]furan-2-carboxylate Openeye Name: methyl 5-[(4-cyano-1-morpholino-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanylmethyl]furan-2-carboxylate CAS Name: 5-[[[4-cyano-1-(4-morpholinyl)-5,6,7,8-tetrahydroisoquinolin-3-yl]thio]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[(4-cyano-1-morpholin-4-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanylmethyl]furan-2-carboxylate Traditional Name: 5-[[(4-cyano-1-morpholino-5,6,7,8-tetrahydroisoquinolin-3-yl)thio]methyl]furan-2-carboxylic acid methyl ester Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)CSC2=NC(=C3CCCCC3=C2C#N)N4CCOCC4

Isomeric SMILES

COC(=O)C1=CC=C(O1)CSC2=NC(=C3CCCCC3=C2C#N)N4CCOCC4

InChI

InChI=1S/C21H23N3O4S/c1-26-21(25)18-7-6-14(28-18)13-29-20-17(12-22)15-4-2-3-5-16(15)19(23-20)24-8-10-27-11-9-24/h6-7H,2-5,8-11,13H2,1H3