ethyl (4S)-2-azanyl-4-(4-chlorophenyl)-6-methyl-5-(phenylcarbamoyl)-4H-pyran-3-carboxylate

Systemtic Name: ethyl (4S)-2-azanyl-4-(4-chlorophenyl)-6-methyl-5-(phenylcarbamoyl)-4H-pyran-3-carboxylate Openeye Name: ethyl (4S)-2-amino-4-(4-chlorophenyl)-6-methyl-5-(phenylcarbamoyl)-4H-pyran-3-carboxylate CAS Name: (4S)-2-amino-5-[anilino(oxo)methyl]-4-(4-chlorophenyl)-6-methyl-4H-pyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-2-amino-4-(4-chlorophenyl)-6-methyl-5-(phenylcarbamoyl)-4H-pyran-3-carboxylate Traditional Name: (4S)-2-amino-4-(4-chlorophenyl)-6-methyl-5-(phenylcarbamoyl)-4H-pyran-3-carboxylic acid ethyl ester Formula: C22H21ClN2O4 MolecularWeight: 412.86614

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC(=C(C1C2=CC=C(C=C2)Cl)C(=O)NC3=CC=CC=C3)C)N

Isomeric SMILES

CCOC(=O)C1=C(OC(=C([C@@H]1C2=CC=C(C=C2)Cl)C(=O)NC3=CC=CC=C3)C)N

InChI

InChI=1S/C22H21ClN2O4/c1-3-28-22(27)19-18(14-9-11-15(23)12-10-14)17(13(2)29-20(19)24)21(26)25-16-7-5-4-6-8-16/h4-12,18H,3,24H2,1-2H3,(H,25,26)/t18-/m0/s1