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

Systemtic Name: tert-butyl 6-azanyl-8-(5-chloranylthiophen-2-yl)-5,7,7-tricyano-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate Openeye Name: tert-butyl 6-amino-8-(5-chloro-2-thienyl)-5,7,7-tricyano-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate CAS Name: 6-amino-8-(5-chloro-2-thiophenyl)-5,7,7-tricyano-1,3,8,8a-tetrahydroisoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 6-amino-8-(5-chlorothiophen-2-yl)-5,7,7-tricyano-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate Traditional Name: 6-amino-8-(5-chloro-2-thienyl)-5,7,7-tricyano-1,3,8,8a-tetrahydroisoquinoline-2-carboxylic acid tert-butyl ester Formula: C21H20ClN5O2S MolecularWeight: 441.9338

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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(S3)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CC=C2C(C1)C(C(C(=C2C#N)N)(C#N)C#N)C3=CC=C(S3)Cl

InChI

InChI=1S/C21H20ClN5O2S/c1-20(2,3)29-19(28)27-7-6-12-13(8-23)18(26)21(10-24,11-25)17(14(12)9-27)15-4-5-16(22)30-15/h4-6,14,17H,7,9,26H2,1-3H3