[(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate CAS Name: 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoic acid [(E)-4-amino-3-cyano-2-oxopent-3-enyl] ester IUPAC Name: [(E)-4-amino-3-cyano-2-oxopent-3-enyl] 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate Traditional Name: 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoic acid [(E)-4-amino-3-cyano-2-keto-pent-3-enyl] ester Formula: C22H21N3O5S MolecularWeight: 439.48424

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)COC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCC3=CC=CC=C32)N

Isomeric SMILES

C/C(=C(/C#N)\C(=O)COC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCC3=CC=CC=C32)/N

InChI

InChI=1S/C22H21N3O5S/c1-15(24)19(13-23)21(26)14-30-22(27)17-8-10-18(11-9-17)31(28,29)25-12-4-6-16-5-2-3-7-20(16)25/h2-3,5,7-11H,4,6,12,14,24H2,1H3/b19-15+