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

Systemtic Name: 2-methoxyethyl (4S)-6-azanyl-4-(2-chloranyl-6-ethoxy-quinolin-3-yl)-5-cyano-2-methyl-4H-pyran-3-carboxylate Openeye Name: 2-methoxyethyl (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 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl (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 2-methoxyethyl ester Formula: C22H22ClN3O5 MolecularWeight: 443.88018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22ClN3O5/c1-4-29-14-5-6-17-13(9-14)10-15(20(23)26-17)19-16(11-24)21(25)31-12(2)18(19)22(27)30-8-7-28-3/h5-6,9-10,19H,4,7-8,25H2,1-3H3/t19-/m0/s1