prop-2-enyl (4S)-6-azanyl-4-(2-chloranyl-6-ethoxy-quinolin-3-yl)-5-cyano-2-methyl-4H-pyran-3-carboxylate

Systemtic Name: prop-2-enyl (4S)-6-azanyl-4-(2-chloranyl-6-ethoxy-quinolin-3-yl)-5-cyano-2-methyl-4H-pyran-3-carboxylate Openeye Name: allyl (4S)-6-amino-4-(2-chloro-6-ethoxy-3-quinolyl)-5-cyano-2-methyl-4H-pyran-3-carboxylate CAS Name: (4S)-6-amino-4-(2-chloro-6-ethoxy-3-quinolinyl)-5-cyano-2-methyl-4H-pyran-3-carboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl (4S)-6-amino-4-(2-chloro-6-ethoxyquinolin-3-yl)-5-cyano-2-methyl-4H-pyran-3-carboxylate Traditional Name: (4S)-6-amino-4-(2-chloro-6-ethoxy-3-quinolyl)-5-cyano-2-methyl-4H-pyran-3-carboxylic acid allyl ester Formula: C22H20ClN3O4 MolecularWeight: 425.8649

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=CC(=C(N=C2C=C1)Cl)C3C(=C(OC(=C3C(=O)OCC=C)C)N)C#N

Isomeric SMILES

CCOC1=CC2=CC(=C(N=C2C=C1)Cl)[C@H]3C(=C(OC(=C3C(=O)OCC=C)C)N)C#N

InChI

InChI=1S/C22H20ClN3O4/c1-4-8-29-22(27)18-12(3)30-21(25)16(11-24)19(18)15-10-13-9-14(28-5-2)6-7-17(13)26-20(15)23/h4,6-7,9-10,19H,1,5,8,25H2,2-3H3/t19-/m0/s1