2-(2-methylprop-2-enoyloxy)ethyl (4S)-6-azanyl-4-(1,3-benzodioxol-5-yl)-5-cyano-2-methyl-4H-pyran-3-carboxylate

Systemtic Name: 2-(2-methylprop-2-enoyloxy)ethyl (4S)-6-azanyl-4-(1,3-benzodioxol-5-yl)-5-cyano-2-methyl-4H-pyran-3-carboxylate Openeye Name: 2-(2-methylprop-2-enoyloxy)ethyl (4S)-6-amino-4-(1,3-benzodioxol-5-yl)-5-cyano-2-methyl-4H-pyran-3-carboxylate CAS Name: (4S)-6-amino-4-(1,3-benzodioxol-5-yl)-5-cyano-2-methyl-4H-pyran-3-carboxylic acid 2-(2-methyl-1-oxoprop-2-enoxy)ethyl ester IUPAC Name: 2-(2-methylprop-2-enoyloxy)ethyl (4S)-6-amino-4-(1,3-benzodioxol-5-yl)-5-cyano-2-methyl-4H-pyran-3-carboxylate Traditional Name: (4S)-6-amino-4-(1,3-benzodioxol-5-yl)-5-cyano-2-methyl-4H-pyran-3-carboxylic acid 2-methacryloyloxyethyl ester Formula: C21H20N2O7 MolecularWeight: 412.3927

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(O1)N)C#N)C2=CC3=C(C=C2)OCO3)C(=O)OCCOC(=O)C(=C)C

Isomeric SMILES

CC1=C([C@H](C(=C(O1)N)C#N)C2=CC3=C(C=C2)OCO3)C(=O)OCCOC(=O)C(=C)C

InChI

InChI=1S/C21H20N2O7/c1-11(2)20(24)26-6-7-27-21(25)17-12(3)30-19(23)14(9-22)18(17)13-4-5-15-16(8-13)29-10-28-15/h4-5,8,18H,1,6-7,10,23H2,2-3H3/t18-/m0/s1