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

Systemtic Name: (8R,8aR)-6-azanylidene-2-ethanoyl-8-thiophen-2-yl-3,5,8,8a-tetrahydro-1H-isoquinoline-5,7,7-tricarbonitrile Openeye Name: (8R,8aR)-2-acetyl-6-imino-8-(2-thienyl)-3,5,8,8a-tetrahydro-1H-isoquinoline-5,7,7-tricarbonitrile CAS Name: (8R,8aR)-2-acetyl-6-imino-8-thiophen-2-yl-3,5,8,8a-tetrahydro-1H-isoquinoline-5,7,7-tricarbonitrile IUPAC Name: (8R,8aR)-2-acetyl-6-imino-8-thiophen-2-yl-3,5,8,8a-tetrahydro-1H-isoquinoline-5,7,7-tricarbonitrile Traditional Name: (8R,8aR)-2-acetyl-6-imino-8-(2-thienyl)-3,5,8,8a-tetrahydro-1H-isoquinoline-5,7,7-tricarbonitrile Formula: C18H15N5OS MolecularWeight: 349.4096

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15N5OS/c1-11(24)23-5-4-12-13(7-19)17(22)18(9-20,10-21)16(14(12)8-23)15-3-2-6-25-15/h2-4,6,13-14,16,22H,5,8H2,1H3/t13?,14-,16-/m0/s1