ethyl 5-azanyl-4-cyano-3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanoyloxymethyl]thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanoyloxymethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]oxymethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-oxoethoxy]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]oxymethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]oxymethyl]thiophene-2-carboxylic acid ethyl ester Formula: C19H18N2O6S MolecularWeight: 402.42102

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)CC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)CC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C19H18N2O6S/c1-2-24-19(23)17-13(12(9-20)18(21)28-17)10-27-16(22)8-11-3-4-14-15(7-11)26-6-5-25-14/h3-4,7H,2,5-6,8,10,21H2,1H3