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

Systemtic Name: (5-azanyl-4-cyano-2-ethoxycarbonyl-thiophen-3-yl)methyl 5-methoxy-3-methyl-1-benzofuran-2-carboxylate Openeye Name: (5-amino-4-cyano-2-ethoxycarbonyl-3-thienyl)methyl 5-methoxy-3-methyl-benzofuran-2-carboxylate CAS Name: 5-methoxy-3-methyl-2-benzofurancarboxylic acid (5-amino-4-cyano-2-ethoxycarbonyl-3-thiophenyl)methyl ester IUPAC Name: (5-amino-4-cyano-2-ethoxycarbonylthiophen-3-yl)methyl 5-methoxy-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 5-methoxy-3-methyl-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=C(O2)C=CC(=C3)OC)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)C2=C(C3=C(O2)C=CC(=C3)OC)C

InChI

InChI=1S/C20H18N2O6S/c1-4-26-20(24)17-14(13(8-21)18(22)29-17)9-27-19(23)16-10(2)12-7-11(25-3)5-6-15(12)28-16/h5-7H,4,9,22H2,1-3H3