(5-azanyl-4-cyano-2-ethoxycarbonyl-thiophen-3-yl)methyl 2,3-dihydro-1,4-dioxine-5-carboxylate

Systemtic Name: (5-azanyl-4-cyano-2-ethoxycarbonyl-thiophen-3-yl)methyl 2,3-dihydro-1,4-dioxine-5-carboxylate Openeye Name: (5-amino-4-cyano-2-ethoxycarbonyl-3-thienyl)methyl 2,3-dihydro-1,4-dioxine-5-carboxylate CAS Name: 2,3-dihydro-1,4-dioxin-5-carboxylic acid (5-amino-4-cyano-2-ethoxycarbonyl-3-thiophenyl)methyl ester IUPAC Name: (5-amino-4-cyano-2-ethoxycarbonylthiophen-3-yl)methyl 2,3-dihydro-1,4-dioxine-5-carboxylate Traditional Name: 2,3-dihydro-p-dioxin-5-carboxylic acid (5-amino-2-carbethoxy-4-cyano-3-thienyl)methyl ester Formula: C14H14N2O6S MolecularWeight: 338.33576

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)C2=COCCO2

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)C2=COCCO2

InChI

InChI=1S/C14H14N2O6S/c1-2-20-14(18)11-9(8(5-15)12(16)23-11)6-22-13(17)10-7-19-3-4-21-10/h7H,2-4,6,16H2,1H3