tert-butyl 6-azanyl-5,7-dicyano-8-thiophen-2-yl-3,8a-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: tert-butyl 6-azanyl-5,7-dicyano-8-thiophen-2-yl-3,8a-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl 6-amino-5,7-dicyano-8-(2-thienyl)-3,8a-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 6-amino-5,7-dicyano-8-thiophen-2-yl-3,8a-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 6-amino-5,7-dicyano-8-thiophen-2-yl-3,8a-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 6-amino-5,7-dicyano-8-(2-thienyl)-3,8a-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C20H20N4O2S MolecularWeight: 380.4634

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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)C3=CC=CS3

Isomeric SMILES

CC(C)(C)OC(=O)N1CC=C2C(C1)C(=C(C(=C2C#N)N)C#N)C3=CC=CS3

InChI

InChI=1S/C20H20N4O2S/c1-20(2,3)26-19(25)24-7-6-12-13(9-21)18(23)14(10-22)17(15(12)11-24)16-5-4-8-27-16/h4-6,8,15H,7,11,23H2,1-3H3