[(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] 2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: 2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid [(E)-4-amino-3-cyano-2-oxopent-3-enyl] ester IUPAC Name: [(E)-4-amino-3-cyano-2-oxopent-3-enyl] 2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: 2-mesyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid [(E)-4-amino-3-cyano-2-keto-pent-3-enyl] ester Formula: C17H19N3O5S MolecularWeight: 377.41486

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

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/h3-6,15H,7,9-10,19H2,1-2H3/b14-11+