tert-butyl (8S)-6-azanyl-5,7,7-tricyano-8-(4-methylsulfanylphenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate

Systemtic Name: tert-butyl (8S)-6-azanyl-5,7,7-tricyano-8-(4-methylsulfanylphenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate Openeye Name: tert-butyl (8S)-6-amino-5,7,7-tricyano-8-(4-methylsulfanylphenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate CAS Name: (8S)-6-amino-5,7,7-tricyano-8-[4-(methylthio)phenyl]-1,3,8,8a-tetrahydroisoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (8S)-6-amino-5,7,7-tricyano-8-(4-methylsulfanylphenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate Traditional Name: (8S)-6-amino-5,7,7-tricyano-8-[4-(methylthio)phenyl]-1,3,8,8a-tetrahydroisoquinoline-2-carboxylic acid tert-butyl ester Formula: C24H25N5O2S MolecularWeight: 447.5526

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC=C2C(C1)C(C(C(=C2C#N)N)(C#N)C#N)C3=CC=C(C=C3)SC

Isomeric SMILES

CC(C)(C)OC(=O)N1CC=C2C(C1)[C@H](C(C(=C2C#N)N)(C#N)C#N)C3=CC=C(C=C3)SC

InChI

InChI=1S/C24H25N5O2S/c1-23(2,3)31-22(30)29-10-9-17-18(11-25)21(28)24(13-26,14-27)20(19(17)12-29)15-5-7-16(32-4)8-6-15/h5-9,19-20H,10,12,28H2,1-4H3/t19?,20-/m1/s1