ethyl (4S)-2-(cyanoamino)-4-(4-hydroxyphenyl)-5,6-dimethyl-4H-pyran-3-carboxylate

Systemtic Name: ethyl (4S)-2-(cyanoamino)-4-(4-hydroxyphenyl)-5,6-dimethyl-4H-pyran-3-carboxylate Openeye Name: ethyl (4S)-2-(cyanoamino)-4-(4-hydroxyphenyl)-5,6-dimethyl-4H-pyran-3-carboxylate CAS Name: (4S)-2-(cyanoamino)-4-(4-hydroxyphenyl)-5,6-dimethyl-4H-pyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-2-(cyanoamino)-4-(4-hydroxyphenyl)-5,6-dimethyl-4H-pyran-3-carboxylate Traditional Name: (4S)-2-(cyanoamino)-4-(4-hydroxyphenyl)-5,6-dimethyl-4H-pyran-3-carboxylic acid ethyl ester Formula: C17H18N2O4 MolecularWeight: 314.33582

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC(=C(C1C2=CC=C(C=C2)O)C)C)NC#N

Isomeric SMILES

CCOC(=O)C1=C(OC(=C([C@@H]1C2=CC=C(C=C2)O)C)C)NC#N

InChI

InChI=1S/C17H18N2O4/c1-4-22-17(21)15-14(12-5-7-13(20)8-6-12)10(2)11(3)23-16(15)19-9-18/h5-8,14,19-20H,4H2,1-3H3/t14-/m1/s1