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

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxidanylidene-butanoyl]oxymethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-butanoyl]oxymethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,4-dioxobutoxy]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxobutanoyl]oxymethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-keto-butanoyl]oxymethyl]thiophene-2-carboxylic acid ethyl ester Formula: C21H20N2O7S MolecularWeight: 444.4577

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O7S/c1-2-27-21(26)19-14(13(10-22)20(23)31-19)11-30-18(25)6-4-15(24)12-3-5-16-17(9-12)29-8-7-28-16/h3,5,9H,2,4,6-8,11,23H2,1H3