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

Systemtic Name: ethyl (8R,8aR)-6-azanylidene-5,7,7-tricyano-8-thiophen-3-yl-3,5,8,8a-tetrahydro-1H-isoquinoline-2-carboxylate Openeye Name: ethyl (8R,8aR)-5,7,7-tricyano-6-imino-8-(3-thienyl)-3,5,8,8a-tetrahydro-1H-isoquinoline-2-carboxylate CAS Name: (8R,8aR)-5,7,7-tricyano-6-imino-8-(3-thiophenyl)-3,5,8,8a-tetrahydro-1H-isoquinoline-2-carboxylic acid ethyl ester IUPAC Name: ethyl (8R,8aR)-5,7,7-tricyano-6-imino-8-thiophen-3-yl-3,5,8,8a-tetrahydro-1H-isoquinoline-2-carboxylate Traditional Name: (8R,8aR)-5,7,7-tricyano-6-imino-8-(3-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=CSC=C3

Isomeric SMILES

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

InChI

InChI=1S/C19H17N5O2S/c1-2-26-18(25)24-5-3-13-14(7-20)17(23)19(10-21,11-22)16(15(13)8-24)12-4-6-27-9-12/h3-4,6,9,14-16,23H,2,5,8H2,1H3/t14?,15-,16+/m0/s1