tert-butyl (8aR)-5-azanyl-6,7,7-tricyano-8-thiophen-3-yl-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate

Systemtic Name: tert-butyl (8aR)-5-azanyl-6,7,7-tricyano-8-thiophen-3-yl-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate Openeye Name: tert-butyl (8aR)-5-amino-6,7,7-tricyano-8-(3-thienyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate CAS Name: (8aR)-5-amino-6,7,7-tricyano-8-(3-thiophenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (8aR)-5-amino-6,7,7-tricyano-8-thiophen-3-yl-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate Traditional Name: (8aR)-5-amino-6,7,7-tricyano-8-(3-thienyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylic acid tert-butyl ester Formula: C21H21N5O2S MolecularWeight: 407.48874

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC=C2C(C1)C(C(C(=C2N)C#N)(C#N)C#N)C3=CSC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CC=C2[C@H](C1)C(C(C(=C2N)C#N)(C#N)C#N)C3=CSC=C3

InChI

InChI=1S/C21H21N5O2S/c1-20(2,3)28-19(27)26-6-4-14-15(9-26)17(13-5-7-29-10-13)21(11-23,12-24)16(8-22)18(14)25/h4-5,7,10,15,17H,6,9,25H2,1-3H3/t15-,17?/m0/s1