(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) (3R)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) (3R)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) (3R)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3R)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) (3R)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3R)-2-mesyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C17H19N3O5S MolecularWeight: 377.41486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)COC(=O)C1CC2=CC=CC=C2CN1S(=O)(=O)C

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)[C@H]1CC2=CC=CC=C2CN1S(=O)(=O)C

InChI

InChI=1S/C17H19N3O5S/c1-11(19)14(8-18)16(21)10-25-17(22)15-7-12-5-3-4-6-13(12)9-20(15)26(2,23)24/h3-6,14-15,19H,7,9-10H2,1-2H3/t14?,15-/m1/s1