methyl (4S)-6-azanyl-5-cyano-2-(2-methoxy-2-oxidanylidene-ethyl)-4-(4-propan-2-ylphenyl)-4H-pyran-3-carboxylate

Systemtic Name: methyl (4S)-6-azanyl-5-cyano-2-(2-methoxy-2-oxidanylidene-ethyl)-4-(4-propan-2-ylphenyl)-4H-pyran-3-carboxylate Openeye Name: methyl (4S)-6-amino-5-cyano-4-(4-isopropylphenyl)-2-(2-methoxy-2-oxo-ethyl)-4H-pyran-3-carboxylate CAS Name: (4S)-6-amino-5-cyano-2-(2-methoxy-2-oxoethyl)-4-(4-propan-2-ylphenyl)-4H-pyran-3-carboxylic acid methyl ester IUPAC Name: methyl (4S)-6-amino-5-cyano-2-(2-methoxy-2-oxoethyl)-4-(4-propan-2-ylphenyl)-4H-pyran-3-carboxylate Traditional Name: (4S)-6-amino-5-cyano-2-(2-keto-2-methoxy-ethyl)-4-p-cumenyl-4H-pyran-3-carboxylic acid methyl ester Formula: C20H22N2O5 MolecularWeight: 370.39908

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2C(=C(OC(=C2C(=O)OC)CC(=O)OC)N)C#N

Isomeric SMILES

CC(C)C1=CC=C(C=C1)[C@H]2C(=C(OC(=C2C(=O)OC)CC(=O)OC)N)C#N

InChI

InChI=1S/C20H22N2O5/c1-11(2)12-5-7-13(8-6-12)17-14(10-21)19(22)27-15(9-16(23)25-3)18(17)20(24)26-4/h5-8,11,17H,9,22H2,1-4H3/t17-/m0/s1