ethyl (8S,8aS)-6-azanylidene-5,7,7-tricyano-8-thiophen-2-yl-3,5,8,8a-tetrahydro-1H-isoquinoline-2-carboxylate

Systemtic Name: ethyl (8S,8aS)-6-azanylidene-5,7,7-tricyano-8-thiophen-2-yl-3,5,8,8a-tetrahydro-1H-isoquinoline-2-carboxylate Openeye Name: ethyl (8S,8aS)-5,7,7-tricyano-6-imino-8-(2-thienyl)-3,5,8,8a-tetrahydro-1H-isoquinoline-2-carboxylate CAS Name: (8S,8aS)-5,7,7-tricyano-6-imino-8-thiophen-2-yl-3,5,8,8a-tetrahydro-1H-isoquinoline-2-carboxylic acid ethyl ester IUPAC Name: ethyl (8S,8aS)-5,7,7-tricyano-6-imino-8-thiophen-2-yl-3,5,8,8a-tetrahydro-1H-isoquinoline-2-carboxylate Traditional Name: (8S,8aS)-5,7,7-tricyano-6-imino-8-(2-thienyl)-3,5,8,8a-tetrahydro-1H-isoquinoline-2-carboxylic acid ethyl ester Formula: C19H17N5O2S MolecularWeight: 379.43558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17N5O2S/c1-2-26-18(25)24-6-5-12-13(8-20)17(23)19(10-21,11-22)16(14(12)9-24)15-4-3-7-27-15/h3-5,7,13-14,16,23H,2,6,9H2,1H3/t13?,14-,16-/m1/s1