ethyl (8aR)-6-azanylidene-5,7-dicyano-8-thiophen-2-yl-1,3,5,8a-tetrahydroisoquinoline-2-carboxylate

Systemtic Name: ethyl (8aR)-6-azanylidene-5,7-dicyano-8-thiophen-2-yl-1,3,5,8a-tetrahydroisoquinoline-2-carboxylate Openeye Name: ethyl (8aR)-5,7-dicyano-6-imino-8-(2-thienyl)-1,3,5,8a-tetrahydroisoquinoline-2-carboxylate CAS Name: (8aR)-5,7-dicyano-6-imino-8-thiophen-2-yl-1,3,5,8a-tetrahydroisoquinoline-2-carboxylic acid ethyl ester IUPAC Name: ethyl (8aR)-5,7-dicyano-6-imino-8-thiophen-2-yl-1,3,5,8a-tetrahydroisoquinoline-2-carboxylate Traditional Name: (8aR)-5,7-dicyano-6-imino-8-(2-thienyl)-1,3,5,8a-tetrahydroisoquinoline-2-carboxylic acid ethyl ester Formula: C18H16N4O2S MolecularWeight: 352.41024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)N1CC=C2[C@@H](C1)C(=C(C(=N)C2C#N)C#N)C3=CC=CS3

InChI

InChI=1S/C18H16N4O2S/c1-2-24-18(23)22-6-5-11-12(8-19)17(21)13(9-20)16(14(11)10-22)15-4-3-7-25-15/h3-5,7,12,14,21H,2,6,10H2,1H3/t12?,14-/m1/s1