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

Systemtic Name: ethyl (4S)-4-(1,3-benzodioxol-5-yl)-5-cyano-2-methyl-6-pyrrol-1-yl-4H-pyran-3-carboxylate Openeye Name: ethyl (4S)-4-(1,3-benzodioxol-5-yl)-5-cyano-2-methyl-6-pyrrol-1-yl-4H-pyran-3-carboxylate CAS Name: (4S)-4-(1,3-benzodioxol-5-yl)-5-cyano-2-methyl-6-(1-pyrrolyl)-4H-pyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-4-(1,3-benzodioxol-5-yl)-5-cyano-2-methyl-6-pyrrol-1-yl-4H-pyran-3-carboxylate Traditional Name: (4S)-4-(1,3-benzodioxol-5-yl)-5-cyano-2-methyl-6-pyrrol-1-yl-4H-pyran-3-carboxylic acid ethyl ester Formula: C21H18N2O5 MolecularWeight: 378.37802

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC(=C(C1C2=CC3=C(C=C2)OCO3)C#N)N4C=CC=C4)C

Isomeric SMILES

CCOC(=O)C1=C(OC(=C([C@@H]1C2=CC3=C(C=C2)OCO3)C#N)N4C=CC=C4)C

InChI

InChI=1S/C21H18N2O5/c1-3-25-21(24)18-13(2)28-20(23-8-4-5-9-23)15(11-22)19(18)14-6-7-16-17(10-14)27-12-26-16/h4-10,19H,3,12H2,1-2H3/t19-/m0/s1