(phenylmethyl) 6-azanyl-8-(4-bromanylthiophen-2-yl)-5,7,7-tricyano-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate

Systemtic Name: (phenylmethyl) 6-azanyl-8-(4-bromanylthiophen-2-yl)-5,7,7-tricyano-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate Openeye Name: benzyl 6-amino-8-(4-bromo-2-thienyl)-5,7,7-tricyano-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate CAS Name: 6-amino-8-(4-bromo-2-thiophenyl)-5,7,7-tricyano-1,3,8,8a-tetrahydroisoquinoline-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 6-amino-8-(4-bromothiophen-2-yl)-5,7,7-tricyano-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate Traditional Name: 6-amino-8-(4-bromo-2-thienyl)-5,7,7-tricyano-1,3,8,8a-tetrahydroisoquinoline-2-carboxylic acid benzyl ester Formula: C24H18BrN5O2S MolecularWeight: 520.40102

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C2C(CN1C(=O)OCC3=CC=CC=C3)C(C(C(=C2C#N)N)(C#N)C#N)C4=CC(=CS4)Br

Isomeric SMILES

C1C=C2C(CN1C(=O)OCC3=CC=CC=C3)C(C(C(=C2C#N)N)(C#N)C#N)C4=CC(=CS4)Br

InChI

InChI=1S/C24H18BrN5O2S/c25-16-8-20(33-12-16)21-19-10-30(23(31)32-11-15-4-2-1-3-5-15)7-6-17(19)18(9-26)22(29)24(21,13-27)14-28/h1-6,8,12,19,21H,7,10-11,29H2