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

Systemtic Name: ethyl (8S,8aR)-5-azanyl-6,7,7-tricyano-8-thiophen-2-yl-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate Openeye Name: ethyl (8S,8aR)-5-amino-6,7,7-tricyano-8-(2-thienyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate CAS Name: (8S,8aR)-5-amino-6,7,7-tricyano-8-thiophen-2-yl-1,3,8,8a-tetrahydroisoquinoline-2-carboxylic acid ethyl ester IUPAC Name: ethyl (8S,8aR)-5-amino-6,7,7-tricyano-8-thiophen-2-yl-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate Traditional Name: (8S,8aR)-5-amino-6,7,7-tricyano-8-(2-thienyl)-1,3,8,8a-tetrahydroisoquinoline-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(=C2N)C#N)(C#N)C#N)C3=CC=CS3

Isomeric SMILES

CCOC(=O)N1CC=C2[C@H](C1)[C@@H](C(C(=C2N)C#N)(C#N)C#N)C3=CC=CS3

InChI

InChI=1S/C19H17N5O2S/c1-2-26-18(25)24-6-5-12-13(9-24)16(15-4-3-7-27-15)19(10-21,11-22)14(8-20)17(12)23/h3-5,7,13,16H,2,6,9,23H2,1H3/t13-,16+/m0/s1