ethyl 5-azanyl-4-cyano-3-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)phenyl]carbonyloxymethyl]thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)phenyl]carbonyloxymethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[[2-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)benzoyl]oxymethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[[2-[2,3-dihydro-1,4-benzodioxin-6-yl(oxo)methyl]phenyl]-oxomethoxy]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[[2-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)benzoyl]oxymethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[2-(2,3-dihydro-1,4-benzodioxin-6-carbonyl)benzoyl]oxymethyl]thiophene-2-carboxylic acid ethyl ester Formula: C25H20N2O7S MolecularWeight: 492.5005

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)C2=CC=CC=C2C(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)C2=CC=CC=C2C(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C25H20N2O7S/c1-2-31-25(30)22-18(17(12-26)23(27)35-22)13-34-24(29)16-6-4-3-5-15(16)21(28)14-7-8-19-20(11-14)33-10-9-32-19/h3-8,11H,2,9-10,13,27H2,1H3