ethyl 6-azanyl-5,7-dicyano-8-thiophen-2-yl-3,8a-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: ethyl 6-azanyl-5,7-dicyano-8-thiophen-2-yl-3,8a-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: ethyl 6-amino-5,7-dicyano-8-(2-thienyl)-3,8a-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 6-amino-5,7-dicyano-8-thiophen-2-yl-3,8a-dihydro-1H-isoquinoline-2-carboxylic acid ethyl ester IUPAC Name: ethyl 6-amino-5,7-dicyano-8-thiophen-2-yl-3,8a-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 6-amino-5,7-dicyano-8-(2-thienyl)-3,8a-dihydro-1H-isoquinoline-2-carboxylic acid ethyl ester Formula: C18H16N4O2S MolecularWeight: 352.41024

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)N1CC=C2C(C1)C(=C(C(=C2C#N)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/h3-5,7,14H,2,6,10,21H2,1H3