(5-azanyl-4-cyano-2-ethoxycarbonyl-thiophen-3-yl)methyl 3-(methoxymethyl)-1-benzofuran-2-carboxylate

Systemtic Name: (5-azanyl-4-cyano-2-ethoxycarbonyl-thiophen-3-yl)methyl 3-(methoxymethyl)-1-benzofuran-2-carboxylate Openeye Name: (5-amino-4-cyano-2-ethoxycarbonyl-3-thienyl)methyl 3-(methoxymethyl)benzofuran-2-carboxylate CAS Name: 3-(methoxymethyl)-2-benzofurancarboxylic acid (5-amino-4-cyano-2-ethoxycarbonyl-3-thiophenyl)methyl ester IUPAC Name: (5-amino-4-cyano-2-ethoxycarbonylthiophen-3-yl)methyl 3-(methoxymethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-(methoxymethyl)coumarilic acid (5-amino-2-carbethoxy-4-cyano-3-thienyl)methyl ester Formula: C20H18N2O6S MolecularWeight: 414.43172

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)C2=C(C3=CC=CC=C3O2)COC

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)C2=C(C3=CC=CC=C3O2)COC

InChI

InChI=1S/C20H18N2O6S/c1-3-26-20(24)17-14(12(8-21)18(22)29-17)10-27-19(23)16-13(9-25-2)11-6-4-5-7-15(11)28-16/h4-7H,3,9-10,22H2,1-2H3