ethyl (4S)-6-azanyl-5-cyano-4-(7-methoxy-1,3-benzodioxol-5-yl)-2-methyl-4H-pyran-3-carboxylate

Systemtic Name: ethyl (4S)-6-azanyl-5-cyano-4-(7-methoxy-1,3-benzodioxol-5-yl)-2-methyl-4H-pyran-3-carboxylate Openeye Name: ethyl (4S)-6-amino-5-cyano-4-(7-methoxy-1,3-benzodioxol-5-yl)-2-methyl-4H-pyran-3-carboxylate CAS Name: (4S)-6-amino-5-cyano-4-(7-methoxy-1,3-benzodioxol-5-yl)-2-methyl-4H-pyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-6-amino-5-cyano-4-(7-methoxy-1,3-benzodioxol-5-yl)-2-methyl-4H-pyran-3-carboxylate Traditional Name: (4S)-6-amino-5-cyano-4-(7-methoxy-1,3-benzodioxol-5-yl)-2-methyl-4H-pyran-3-carboxylic acid ethyl ester Formula: C18H18N2O6 MolecularWeight: 358.34532

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC(=C(C1C2=CC3=C(C(=C2)OC)OCO3)C#N)N)C

Isomeric SMILES

CCOC(=O)C1=C(OC(=C([C@@H]1C2=CC3=C(C(=C2)OC)OCO3)C#N)N)C

InChI

InChI=1S/C18H18N2O6/c1-4-23-18(21)14-9(2)26-17(20)11(7-19)15(14)10-5-12(22-3)16-13(6-10)24-8-25-16/h5-6,15H,4,8,20H2,1-3H3/t15-/m0/s1