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

Systemtic Name: methyl (4S)-6-azanyl-5-cyano-4-(7-methoxy-1,3-benzodioxol-5-yl)-2-(2-methoxy-2-oxidanylidene-ethyl)-4H-pyran-3-carboxylate Openeye Name: methyl (4S)-6-amino-5-cyano-4-(7-methoxy-1,3-benzodioxol-5-yl)-2-(2-methoxy-2-oxo-ethyl)-4H-pyran-3-carboxylate CAS Name: (4S)-6-amino-5-cyano-4-(7-methoxy-1,3-benzodioxol-5-yl)-2-(2-methoxy-2-oxoethyl)-4H-pyran-3-carboxylic acid methyl ester IUPAC Name: methyl (4S)-6-amino-5-cyano-4-(7-methoxy-1,3-benzodioxol-5-yl)-2-(2-methoxy-2-oxoethyl)-4H-pyran-3-carboxylate Traditional Name: (4S)-6-amino-5-cyano-2-(2-keto-2-methoxy-ethyl)-4-(7-methoxy-1,3-benzodioxol-5-yl)-4H-pyran-3-carboxylic acid methyl ester Formula: C19H18N2O8 MolecularWeight: 402.35482

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCO2)C3C(=C(OC(=C3C(=O)OC)CC(=O)OC)N)C#N

Isomeric SMILES

COC1=CC(=CC2=C1OCO2)[C@H]3C(=C(OC(=C3C(=O)OC)CC(=O)OC)N)C#N

InChI

InChI=1S/C19H18N2O8/c1-24-12-4-9(5-13-17(12)28-8-27-13)15-10(7-20)18(21)29-11(6-14(22)25-2)16(15)19(23)26-3/h4-5,15H,6,8,21H2,1-3H3/t15-/m0/s1